data_CuPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   4.04
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   100.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPt
_chemical_formula_sum   'Cu2 Pt2'
_cell_volume   56.11
_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  0.45  0.03  0.46  1.0
  Cu  Cu1  1  0.28  0.01  0.67  1.0
  Pt  Pt2  1  0.18  0.01  0.32  1.0
  Pt  Pt3  1  0.55  0.03  0.81  1.0

data_CuPt
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.71
_cell_length_b   4.04
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   100.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CuPt
_chemical_formula_sum   'Cu2 Pt2'
_cell_volume   56.11
_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  0.09  0.01  0.4  1.0
  Pt  Pt1  2  0.19  0.01  0.74  1.0

Cu Cu Pt Pt