data_CuP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   4.54
_cell_angle_alpha   115.38
_cell_angle_beta   115.38
_cell_angle_gamma   30.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuP
_chemical_formula_sum   'Cu2 P2'
_cell_volume   53.18
_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
  Cu  Cu0  1  0.54  0.0  0.22  1.0
  Cu  Cu1  1  0.26  0.0  0.84  1.0
  P  P2  1  0.64  0.0  0.17  1.0
  P  P3  1  0.16  0.0  0.9  1.0

data_CuP
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.67
_cell_length_b   4.54
_cell_length_c   5.08
_cell_angle_alpha   115.38
_cell_angle_beta   105.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CuP
_chemical_formula_sum   'Cu2 P2'
_cell_volume   53.18
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.19  0.14  1.0
  P  P1  2  0.0  0.13  0.24  1.0

Cu Cu P P