data_[In12P36O108]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [13.4396]
_cell_length_b [19.4838]
_cell_length_c [9.5476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.5326]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [In(PO3)3]
_chemical_formula_sum '[In12 P36 O108]'
_cell_volume [1982.5794]
_cell_formula_units_Z [12]
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
[
  In  In0  4  0.3966  0.4079  0.4871  1
  In  In1  4  0.3979  0.0772  0.4868  1
  In  In2  4  0.4214  0.2411  0.0277  1
  P  P3  4  0.0431  0.4695  0.8143  1
  P  P4  4  0.0519  0.1988  0.3408  1
  P  P5  4  0.0558  0.1389  0.8343  1
  P  P6  4  0.1302  0.0254  0.7017  1
  P  P7  4  0.1467  0.3089  0.2303  1
  P  P8  4  0.1795  0.3594  0.7872  1
  P  P9  4  0.2547  0.4737  0.6549  1
  P  P10  4  0.2646  0.1371  0.6755  1
  P  P11  4  0.2660  0.1935  0.1856  1
  O  O12  4  0.0149  0.4955  0.6457  1
  O  O13  4  0.0366  0.0202  0.0522  1
  O  O14  4  0.0411  0.1401  0.2312  1
  O  O15  4  0.0597  0.2693  0.2643  1
  O  O16  4  0.0602  0.0656  0.7651  1
  O  O17  4  0.0620  0.1938  0.7298  1
  O  O18  4  0.0626  0.3350  0.6161  1
  O  O19  4  0.0689  0.3653  0.1054  1
  O  O20  4  0.1189  0.4729  0.4647  1
  O  O21  4  0.1476  0.4111  0.8865  1
  O  O22  4  0.1562  0.9185  0.1047  1
  O  O23  4  0.1697  0.2562  0.1222  1
  O  O24  4  0.1848  0.1386  0.0308  1
  O  O25  4  0.1867  0.1966  0.5313  1
  O  O26  4  0.2492  0.0031  0.3621  1
  O  O27  4  0.2558  0.4034  0.7400  1
  O  O28  4  0.2617  0.4674  0.2602  1
  O  O29  4  0.2685  0.3097  0.9274  1
  O  O30  4  0.2685  0.3251  0.4077  1
  O  O31  4  0.2906  0.1650  0.3502  1
  O  O32  4  0.3048  0.8375  0.3503  1
  O  O33  4  0.3547  0.4681  0.6311  1
  O  O34  4  0.3661  0.8914  0.1711  1
  O  O35  4  0.3804  0.2120  0.2022  1
  O  O36  4  0.4310  0.0536  0.2995  1
  O  O37  4  0.4457  0.3588  0.3368  1
  O  O38  4  0.4477  0.7075  0.3550  1
]