data_[Cs2Mo8P14O56]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [9.7581]
_cell_length_b [11.0167]
_cell_length_c [12.7619]
_cell_angle_alpha [93.9168]
_cell_angle_beta [102.8883]
_cell_angle_gamma [104.6571]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsMo4(PO4)7]
_chemical_formula_sum '[Cs2 Mo8 P14 O56]'
_cell_volume [1282.4773]
_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
[
  Cs  Cs0  2  0.0219  0.2067  0.7656  1
  Mo  Mo1  2  0.2526  0.4811  0.1218  1
  Mo  Mo2  2  0.2647  0.4813  0.6057  1
  Mo  Mo3  2  0.2765  0.0192  0.0908  1
  Mo  Mo4  2  0.2770  0.0106  0.5941  1
  P  P5  2  0.0426  0.5866  0.7544  1
  P  P6  2  0.0634  0.6912  0.5475  1
  P  P7  2  0.0930  0.6978  0.9774  1
  P  P8  2  0.3766  0.0563  0.3574  1
  P  P9  2  0.3897  0.0709  0.8602  1
  P  P10  2  0.4269  0.2840  0.2526  1
  P  P11  2  0.4500  0.2861  0.7347  1
  O  O12  2  0.0156  0.6748  0.6611  1
  O  O13  2  0.0731  0.3339  0.0378  1
  O  O14  2  0.0781  0.3321  0.5416  1
  O  O15  2  0.1010  0.4880  0.2278  1
  O  O16  2  0.1223  0.0649  0.0919  1
  O  O17  2  0.1266  0.6917  0.8582  1
  O  O18  2  0.1345  0.0754  0.5917  1
  O  O19  2  0.1414  0.5089  0.7303  1
  O  O20  2  0.1487  0.5962  0.5300  1
  O  O21  2  0.1540  0.8258  0.5538  1
  O  O22  2  0.1579  0.6027  0.0369  1
  O  O23  2  0.1632  0.8317  0.0324  1
  O  O24  2  0.2775  0.0153  0.4333  1
  O  O25  2  0.2899  0.0579  0.9378  1
  O  O26  2  0.3019  0.9726  0.2470  1
  O  O27  2  0.3075  0.9838  0.7534  1
  O  O28  2  0.3184  0.3626  0.2283  1
  O  O29  2  0.3395  0.3641  0.7107  1
  O  O30  2  0.3506  0.4600  0.5073  1
  O  O31  2  0.3574  0.4579  0.0369  1
  O  O32  2  0.3709  0.2000  0.3416  1
  O  O33  2  0.3915  0.6339  0.2278  1
  O  O34  2  0.4066  0.2164  0.8349  1
  O  O35  2  0.4158  0.6382  0.6979  1
  O  O36  2  0.4229  0.1922  0.1547  1
  O  O37  2  0.4341  0.1847  0.6411  1
  O  O38  2  0.4608  0.9449  0.0932  1
  O  O39  2  0.4651  0.9408  0.6003  1
]