data_[Cu4P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8045]
_cell_length_b [4.8201]
_cell_length_c [7.5344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CuP2]
_chemical_formula_sum '[Cu4 P8]'
_cell_volume [194.5002]
_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
[
  Cu  Cu0  4  0.1460  0.0376  0.9182  1.0
  P  P1  4  0.2460  0.7224  0.1987  1.0
  P  P2  4  0.4063  0.1156  0.5802  1.0
]