data_CuPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   5.42
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPt
_chemical_formula_sum   'Cu6 Pt6'
_cell_volume   167.72
_cell_formula_units_Z   6
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  0.35  0.32  0.0  1.0
  Cu  Cu1  1  0.12  0.0  0.17  1.0
  Cu  Cu2  1  0.0  0.71  0.0  1.0
  Cu  Cu3  1  0.55  0.0  0.43  1.0
  Cu  Cu4  1  0.35  0.1  0.0  1.0
  Cu  Cu5  1  0.0  0.0  0.0  1.0
  Pt  Pt6  1  0.89  0.08  0.48  1.0
  Pt  Pt7  1  0.78  0.33  0.12  1.0
  Pt  Pt8  1  0.12  0.71  0.11  1.0
  Pt  Pt9  1  0.89  0.33  0.48  1.0
  Pt  Pt10  1  0.78  0.08  0.12  1.0
  Pt  Pt11  1  0.55  0.71  0.49  1.0

data_CuPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.69
_cell_length_b   5.42
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPt
_chemical_formula_sum   'Cu6 Pt6'
_cell_volume   167.72
_cell_formula_units_Z   6
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  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.71  0.0  1.0
  Cu  Cu2  1  0.12  0.0  0.17  1.0
  Cu  Cu3  1  0.35  0.1  0.0  1.0
  Cu  Cu4  1  0.35  0.32  0.0  1.0
  Cu  Cu5  1  0.55  0.0  0.43  1.0
  Pt  Pt6  1  0.12  0.71  0.11  1.0
  Pt  Pt7  1  0.55  0.71  0.49  1.0
  Pt  Pt8  1  0.78  0.08  0.12  1.0
  Pt  Pt9  1  0.78  0.33  0.12  1.0
  Pt  Pt10  1  0.89  0.08  0.48  1.0
  Pt  Pt11  1  0.89  0.33  0.48  1.0

Cu Cu Cu Cu Cu Cu Pt Pt Pt Pt Pt Pt