data_[Cr12P8]
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 [Pnma]
_cell_length_a [8.7401]
_cell_length_b [2.8943]
_cell_length_c [9.3584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Cr3P2]
_chemical_formula_sum '[Cr12 P8]'
_cell_volume [236.7379]
_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  4  0.0572  0.2500  0.8695  1.0
  Cr  Cr1  4  0.1314  0.7500  0.4526  1.0
  Cr  Cr2  4  0.2249  0.2500  0.2357  1.0
  P  P3  4  0.0260  0.7500  0.6756  1.0
  P  P4  4  0.1843  0.7500  0.0316  1.0
]