data_[Cr16P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [6.7767]
_cell_length_b [19.5419]
_cell_length_c [9.6882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6806]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Cr4P3]
_chemical_formula_sum '[Cr16 P12]'
_cell_volume [1200.3203]
_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
[
  Cr  Cr0  2  0.2354  0.4168  0.5774  1
  Cr  Cr1  2  0.3186  0.4788  0.1922  1
  Cr  Cr2  2  0.4682  0.3904  0.4024  1
  Cr  Cr3  2  0.4814  0.3917  0.0772  1
  Cr  Cr4  2  0.5938  0.4976  0.5187  1
  Cr  Cr5  2  0.6781  0.4907  0.2856  1
  Cr  Cr6  2  0.7798  0.3967  0.9243  1
  Cr  Cr7  2  0.9809  0.4918  0.0019  1
  P  P8  2  0.1283  0.4499  0.3377  1
  P  P9  2  0.1375  0.3838  0.0183  1
  P  P10  2  0.4097  0.4140  0.8329  1
  P  P11  2  0.6123  0.3955  0.6681  1
  P  P12  2  0.8355  0.4142  0.1664  1
  P  P13  2  0.8398  0.4026  0.4969  1
]