data_[Li12Mn4V4P12O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  V  1.6300  1.3500  0.7775
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.7249]
_cell_length_b [9.8223]
_cell_length_c [9.8459]
_cell_angle_alpha [84.6754]
_cell_angle_beta [86.2431]
_cell_angle_gamma [87.3248]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li3MnV(PO4)3]
_chemical_formula_sum '[Li12 Mn4 V4 P12 O48]'
_cell_volume [933.6347]
_cell_formula_units_Z [4]
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
[
  Li  Li0  1  0.0352  0.7070  0.0657  1
  Li  Li1  1  0.1798  0.7297  0.7606  1
  Li  Li2  1  0.2010  0.3771  0.2502  1
  Li  Li3  1  0.2340  0.5068  0.9868  1
  Li  Li4  1  0.3940  0.2587  0.9980  1
  Li  Li5  1  0.4783  0.5557  0.7852  1
  Li  Li6  1  0.5264  0.2149  0.4462  1
  Li  Li7  1  0.6063  0.0012  0.7434  1
  Li  Li8  1  0.7624  0.0118  0.4954  1
  Li  Li9  1  0.7984  0.7438  0.6296  1
  Li  Li10  1  0.8189  0.2409  0.2683  1
  Li  Li11  1  0.9622  0.9353  0.2885  1
  Mn  Mn12  1  0.0007  0.2429  0.7566  1
  Mn  Mn13  1  0.4973  0.7573  0.2489  1
  Mn  Mn14  1  0.5039  0.5328  0.4683  1
  Mn  Mn15  1  0.7206  0.7385  0.0327  1
  V  V16  1  0.0020  0.4646  0.5328  1
  V  V17  1  0.2165  0.0284  0.7489  1
  V  V18  1  0.2798  0.9680  0.2542  1
  V  V19  1  0.7850  0.2514  0.9709  1
  P  P20  1  0.0729  0.1558  0.4465  1
  P  P21  1  0.0966  0.1744  0.0544  1
  P  P22  1  0.1968  0.6546  0.3149  1
  P  P23  1  0.3038  0.3390  0.6814  1
  P  P24  1  0.4042  0.8215  0.9496  1
  P  P25  1  0.4279  0.8366  0.5584  1
  P  P26  1  0.5732  0.4432  0.1628  1
  P  P27  1  0.5943  0.0530  0.1833  1
  P  P28  1  0.6981  0.3173  0.6643  1
  P  P29  1  0.8031  0.6795  0.3467  1
  P  P30  1  0.9006  0.9441  0.8272  1
  P  P31  1  0.9271  0.5536  0.8390  1
  O  O32  1  0.0551  0.6055  0.8993  1
  O  O33  1  0.0566  0.9068  0.8000  1
  O  O34  1  0.0711  0.3144  0.4117  1
  O  O35  1  0.0805  0.1170  0.6042  1
  O  O36  1  0.1224  0.1640  0.8930  1
  O  O37  1  0.1315  0.0320  0.1243  1
  O  O38  1  0.1393  0.5933  0.4546  1
  O  O39  1  0.1412  0.3717  0.6749  1
  O  O40  1  0.1535  0.8102  0.2970  1
  O  O41  1  0.1556  0.5820  0.1932  1
  O  O42  1  0.1875  0.2882  0.0857  1
  O  O43  1  0.2093  0.0993  0.3801  1
  O  O44  1  0.2887  0.8760  0.6337  1
  O  O45  1  0.3343  0.1820  0.6890  1
  O  O46  1  0.3367  0.6974  0.9029  1
  O  O47  1  0.3458  0.9606  0.8861  1
  O  O48  1  0.3506  0.4020  0.8061  1
  O  O49  1  0.3597  0.6311  0.3225  1
  O  O50  1  0.3707  0.8301  0.1101  1
  O  O51  1  0.3710  0.3925  0.5406  1
  O  O52  1  0.4127  0.8763  0.4011  1
  O  O53  1  0.4361  0.0863  0.1811  1
  O  O54  1  0.4426  0.6749  0.5913  1
  O  O55  1  0.4473  0.4020  0.0968  1
  O  O56  1  0.5534  0.9043  0.5996  1
  O  O57  1  0.5576  0.4102  0.3237  1
  O  O58  1  0.5628  0.8186  0.9177  1
  O  O59  1  0.5882  0.6036  0.1231  1
  O  O60  1  0.6261  0.8928  0.1835  1
  O  O61  1  0.6370  0.4580  0.6143  1
  O  O62  1  0.6389  0.6694  0.3737  1
  O  O63  1  0.6505  0.1931  0.5998  1
  O  O64  1  0.6577  0.1111  0.0429  1
  O  O65  1  0.6581  0.1063  0.3053  1
  O  O66  1  0.6649  0.3043  0.8224  1
  O  O67  1  0.7117  0.3702  0.1202  1
  O  O68  1  0.7878  0.6200  0.8844  1
  O  O69  1  0.8123  0.9123  0.7137  1
  O  O70  1  0.8427  0.8046  0.4154  1
  O  O71  1  0.8441  0.6943  0.1896  1
  O  O72  1  0.8608  0.8715  0.9709  1
  O  O73  1  0.8629  0.3214  0.6305  1
  O  O74  1  0.8631  0.5424  0.4072  1
  O  O75  1  0.8759  0.1047  0.8392  1
  O  O76  1  0.9210  0.3951  0.8808  1
  O  O77  1  0.9390  0.5865  0.6804  1
  O  O78  1  0.9401  0.2039  0.0936  1
  O  O79  1  0.9424  0.0993  0.3960  1
]