data_[Na2Ca4La14Mn20O60]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4894]
_cell_length_b [5.4957]
_cell_length_c [45.4841]
_cell_angle_alpha [86.9129]
_cell_angle_beta [86.9099]
_cell_angle_gamma [60.8721]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaCa2La7Mn10O30]
_chemical_formula_sum '[Na2 Ca4 La14 Mn20 O60]'
_cell_volume [1196.3018]
_cell_formula_units_Z [2]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Na  Na0  1  0.1259  0.1270  0.6265  1
  Na  Na1  1  0.4218  0.4264  0.7253  1
  Ca  Ca2  1  0.0742  0.0734  0.7724  1
  Ca  Ca3  1  0.1799  0.1743  0.4771  1
  Ca  Ca4  1  0.3727  0.3734  0.8733  1
  Ca  Ca5  1  0.6726  0.6713  0.9728  1
  La  La6  1  0.0237  0.0232  0.9232  1
  La  La7  1  0.2254  0.2256  0.3260  1
  La  La8  1  0.2745  0.2749  0.1745  1
  La  La9  1  0.3248  0.3225  0.0217  1
  La  La10  1  0.4717  0.4774  0.5788  1
  La  La11  1  0.5271  0.5243  0.4282  1
  La  La12  1  0.5749  0.5755  0.2755  1
  La  La13  1  0.6244  0.6244  0.1239  1
  La  La14  1  0.7270  0.7216  0.8233  1
  La  La15  1  0.7785  0.7765  0.6760  1
  La  La16  1  0.8292  0.8234  0.5265  1
  La  La17  1  0.8752  0.8773  0.3768  1
  La  La18  1  0.9245  0.9256  0.2250  1
  La  La19  1  0.9730  0.9745  0.0731  1
  Mn  Mn20  1  0.0004  0.0013  0.9984  1
  Mn  Mn21  1  0.0500  0.0496  0.8491  1
  Mn  Mn22  1  0.1023  0.0980  0.7008  1
  Mn  Mn23  1  0.1477  0.1519  0.5510  1
  Mn  Mn24  1  0.2009  0.1980  0.4012  1
  Mn  Mn25  1  0.2495  0.2503  0.2501  1
  Mn  Mn26  1  0.2994  0.3008  0.0992  1
  Mn  Mn27  1  0.3500  0.3493  0.9488  1
  Mn  Mn28  1  0.4007  0.4013  0.7984  1
  Mn  Mn29  1  0.4549  0.4457  0.6515  1
  Mn  Mn30  1  0.5020  0.4994  0.5008  1
  Mn  Mn31  1  0.5490  0.5507  0.3508  1
  Mn  Mn32  1  0.5995  0.6006  0.1999  1
  Mn  Mn33  1  0.6523  0.6487  0.0487  1
  Mn  Mn34  1  0.6990  0.7015  0.8993  1
  Mn  Mn35  1  0.7503  0.7500  0.7491  1
  Mn  Mn36  1  0.7996  0.7977  0.6020  1
  Mn  Mn37  1  0.8488  0.8492  0.4515  1
  Mn  Mn38  1  0.9000  0.8999  0.3004  1
  Mn  Mn39  1  0.9503  0.9498  0.1496  1
  O  O40  1  0.0053  0.5706  0.4188  1
  O  O41  1  0.0176  0.4568  0.0680  1
  O  O42  1  0.0250  0.9113  0.5724  1
  O  O43  1  0.0610  0.1913  0.1253  1
  O  O44  1  0.0851  0.6449  0.6303  1
  O  O45  1  0.0929  0.5315  0.2821  1
  O  O46  1  0.1069  0.6676  0.1180  1
  O  O47  1  0.1105  0.5612  0.7703  1
  O  O48  1  0.1410  0.0076  0.2750  1
  O  O49  1  0.1684  0.2874  0.8260  1
  O  O50  1  0.1816  0.7440  0.3319  1
  O  O51  1  0.1945  0.6295  0.9804  1
  O  O52  1  0.2043  0.7733  0.8181  1
  O  O53  1  0.2209  0.6544  0.4699  1
  O  O54  1  0.2476  0.1091  0.9753  1
  O  O55  1  0.2632  0.3841  0.5254  1
  O  O56  1  0.2797  0.8452  0.0311  1
  O  O57  1  0.2928  0.7319  0.6810  1
  O  O58  1  0.3044  0.8733  0.5190  1
  O  O59  1  0.3189  0.7568  0.1679  1
  O  O60  1  0.3355  0.2117  0.6746  1
  O  O61  1  0.3584  0.4916  0.2251  1
  O  O62  1  0.3815  0.9403  0.7313  1
  O  O63  1  0.3926  0.8324  0.3821  1
  O  O64  1  0.4061  0.9692  0.2180  1
  O  O65  1  0.4158  0.8574  0.8686  1
  O  O66  1  0.4360  0.3078  0.3749  1
  O  O67  1  0.4651  0.5917  0.9253  1
  O  O68  1  0.4796  0.0433  0.4317  1
  O  O69  1  0.4948  0.9295  0.0814  1
  O  O70  1  0.5049  0.0731  0.9179  1
  O  O71  1  0.5149  0.9591  0.5688  1
  O  O72  1  0.5417  0.4147  0.0752  1
  O  O73  1  0.5619  0.6815  0.6237  1
  O  O74  1  0.5809  0.1437  0.1317  1
  O  O75  1  0.5934  0.0330  0.7812  1
  O  O76  1  0.6110  0.1622  0.6194  1
  O  O77  1  0.6200  0.0560  0.2681  1
  O  O78  1  0.6512  0.5133  0.7780  1
  O  O79  1  0.6588  0.7892  0.3248  1
  O  O80  1  0.6801  0.2419  0.8318  1
  O  O81  1  0.6926  0.1329  0.4811  1
  O  O82  1  0.7064  0.2691  0.3183  1
  O  O83  1  0.7173  0.1571  0.9687  1
  O  O84  1  0.7410  0.6015  0.4749  1
  O  O85  1  0.7675  0.8927  0.0261  1
  O  O86  1  0.7787  0.3445  0.5320  1
  O  O87  1  0.7933  0.2309  0.1819  1
  O  O88  1  0.8084  0.3680  0.0182  1
  O  O89  1  0.8168  0.2591  0.6690  1
  O  O90  1  0.8427  0.7095  0.1750  1
  O  O91  1  0.8576  0.9855  0.7242  1
  O  O92  1  0.8804  0.4442  0.2320  1
  O  O93  1  0.8929  0.3323  0.8809  1
  O  O94  1  0.9030  0.4699  0.7190  1
  O  O95  1  0.9221  0.3541  0.3687  1
  O  O96  1  0.9465  0.8099  0.8756  1
  O  O97  1  0.9574  0.0837  0.4238  1
  O  O98  1  0.9755  0.5472  0.9311  1
  O  O99  1  0.9862  0.4470  0.5796  1
]