data_Cu2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   107.41
_cell_angle_beta   107.41
_cell_angle_gamma   113.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Pt
_chemical_formula_sum   'Cu4 Pt2'
_cell_volume   89.47
_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  0.01  0.89  0.0  1.0
  Cu  Cu1  1  0.01  0.11  0.67  1.0
  Cu  Cu2  1  0.89  0.78  0.0  1.0
  Cu  Cu3  1  0.89  0.01  0.67  1.0
  Pt  Pt4  1  0.0  0.0  0.34  1.0
  Pt  Pt5  1  0.0  0.0  0.01  1.0

data_Cu2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   107.41
_cell_angle_beta   107.41
_cell_angle_gamma   113.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Pt
_chemical_formula_sum   'Cu4 Pt2'
_cell_volume   89.47
_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  0.01  0.11  0.67  1.0
  Cu  Cu1  1  0.01  0.89  0.0  1.0
  Cu  Cu2  1  0.89  0.01  0.67  1.0
  Cu  Cu3  1  0.89  0.78  0.0  1.0
  Pt  Pt4  1  0.0  0.0  0.01  1.0
  Pt  Pt5  1  0.0  0.0  0.34  1.0

Cu Cu Cu Cu Pt Pt