data_[Ba4La8Mn11Sn1O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6273]
_cell_length_b [9.7720]
_cell_length_c [14.9041]
_cell_angle_alpha [108.9762]
_cell_angle_beta [100.5812]
_cell_angle_gamma [90.2689]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ba4La8Mn11SnO36]
_chemical_formula_sum '[Ba4 La8 Mn11 Sn1 O36]'
_cell_volume [760.0321]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  1  0.1273  0.1253  0.2534  1
  Ba  Ba1  1  0.2924  0.6224  0.5819  1
  Ba  Ba2  1  0.4567  0.1284  0.9140  1
  Ba  Ba3  1  0.9558  0.6218  0.9149  1
  La  La4  1  0.0429  0.3838  0.0846  1
  La  La5  1  0.2090  0.8754  0.4182  1
  La  La6  1  0.3755  0.3752  0.7495  1
  La  La7  1  0.5415  0.8656  0.0868  1
  La  La8  1  0.6258  0.6245  0.2515  1
  La  La9  1  0.7085  0.3751  0.4182  1
  La  La10  1  0.7927  0.1282  0.5852  1
  La  La11  1  0.8710  0.8716  0.7429  1
  Mn  Mn12  1  0.0853  0.7493  0.1701  1
  Mn  Mn13  1  0.1666  0.5007  0.3339  1
  Mn  Mn14  1  0.2506  0.2485  0.5009  1
  Mn  Mn15  1  0.3328  0.0007  0.6654  1
  Mn  Mn16  1  0.4151  0.7463  0.8309  1
  Mn  Mn17  1  0.5002  0.4993  0.0001  1
  Mn  Mn18  1  0.5832  0.2546  0.1685  1
  Mn  Mn19  1  0.6675  0.9997  0.3351  1
  Mn  Mn20  1  0.7496  0.7507  0.4978  1
  Mn  Mn21  1  0.8326  0.4990  0.6658  1
  Mn  Mn22  1  0.9167  0.2510  0.8312  1
  Sn  Sn23  1  0.0002  0.0008  0.0000  1
  O  O24  1  0.0012  0.3635  0.5655  1
  O  O25  1  0.0169  0.8996  0.5805  1
  O  O26  1  0.0394  0.8583  0.0782  1
  O  O27  1  0.1331  0.6506  0.2656  1
  O  O28  1  0.1347  0.1255  0.7525  1
  O  O29  1  0.1540  0.5970  0.7497  1
  O  O30  1  0.1683  0.8717  0.8933  1
  O  O31  1  0.1986  0.3871  0.9162  1
  O  O32  1  0.2059  0.3630  0.4109  1
  O  O33  1  0.3007  0.1512  0.6006  1
  O  O34  1  0.3227  0.6246  0.1005  1
  O  O35  1  0.3274  0.0973  0.0863  1
  O  O36  1  0.3476  0.3824  0.2319  1
  O  O37  1  0.3670  0.8829  0.2516  1
  O  O38  1  0.3703  0.8650  0.7384  1
  O  O39  1  0.4667  0.6512  0.9379  1
  O  O40  1  0.4876  0.1211  0.4339  1
  O  O41  1  0.4896  0.6016  0.4110  1
  O  O42  1  0.5132  0.8836  0.5639  1
  O  O43  1  0.5324  0.3799  0.5826  1
  O  O44  1  0.5379  0.3694  0.0777  1
  O  O45  1  0.6360  0.6231  0.7567  1
  O  O46  1  0.6373  0.1551  0.2729  1
  O  O47  1  0.6541  0.0992  0.7419  1
  O  O48  1  0.6742  0.3770  0.8982  1
  O  O49  1  0.6869  0.8843  0.9153  1
  O  O50  1  0.7002  0.8519  0.4015  1
  O  O51  1  0.8005  0.6520  0.5975  1
  O  O52  1  0.8107  0.1330  0.0964  1
  O  O53  1  0.8148  0.6006  0.0904  1
  O  O54  1  0.8350  0.8662  0.2350  1
  O  O55  1  0.8493  0.4000  0.2504  1
  O  O56  1  0.8674  0.3506  0.7350  1
  O  O57  1  0.9653  0.1575  0.9337  1
  O  O58  1  0.9709  0.6296  0.4220  1
  O  O59  1  0.9826  0.0957  0.4235  1
]