data_[Cr4P16]
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 [C2/c]
_cell_length_a [5.1972]
_cell_length_b [10.7590]
_cell_length_c [5.7220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4274]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CrP4]
_chemical_formula_sum '[Cr4 P16]'
_cell_volume [299.8337]
_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  0.0000  0.0602  0.2500  1.0
  P  P1  8  0.2270  0.2813  0.8091  1.0
  P  P2  8  0.2279  0.4106  0.3237  1.0
]