data_[Cu1Re1P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Re  1.9000  1.3500  0.7125
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.1924]
_cell_length_b [3.1924]
_cell_length_c [6.2478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [CuReP2]
_chemical_formula_sum '[Cu1 Re1 P2]'
_cell_volume [63.6743]
_cell_formula_units_Z [1]
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
[
  Re  Re0  1  0.0000  0.0000  0.5046  1
  Cu  Cu1  1  0.5000  0.5000  0.7671  1
  P  P2  1  0.0000  0.0000  0.8830  1
  P  P3  1  0.5000  0.5000  0.3453  1
]