data_[Cr2P8]
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 [P-1]
_cell_length_a [5.1727]
_cell_length_b [5.9546]
_cell_length_c [5.9837]
_cell_angle_alpha [68.6045]
_cell_angle_beta [64.4133]
_cell_angle_gamma [86.2459]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CrP4]
_chemical_formula_sum '[Cr2 P8]'
_cell_volume [153.8412]
_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
[
  Cr  Cr0  2  0.0011  0.7208  0.7871  1.0
  P  P1  2  0.1215  0.1537  0.5787  1.0
  P  P2  2  0.1231  0.6723  0.1232  1.0
  P  P3  2  0.4490  0.1952  0.9521  1.0
  P  P4  2  0.4552  0.6949  0.4851  1.0
]