data_CuPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   9.11
_cell_angle_alpha   95.18
_cell_angle_beta   95.18
_cell_angle_gamma   120.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPt2
_chemical_formula_sum   'Cu4 Pt8'
_cell_volume   175.47
_cell_formula_units_Z   4
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  0.72  0.68  0.85  1.0
  Cu  Cu1  1  0.38  0.32  0.12  1.0
  Cu  Cu2  1  0.56  0.68  0.6  1.0
  Cu  Cu3  1  0.55  0.32  0.36  1.0
  Pt  Pt4  1  0.16  0.93  0.36  1.0
  Pt  Pt5  1  0.32  0.33  0.84  1.0
  Pt  Pt6  1  0.77  0.93  0.12  1.0
  Pt  Pt7  1  0.14  0.67  0.36  1.0
  Pt  Pt8  1  0.97  0.33  0.6  1.0
  Pt  Pt9  1  0.33  0.07  0.84  1.0
  Pt  Pt10  1  0.79  0.67  0.12  1.0
  Pt  Pt11  1  0.95  0.07  0.61  1.0

data_CuPt2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.75
_cell_length_b   4.76
_cell_length_c   9.11
_cell_angle_alpha   84.82
_cell_angle_beta   79.59
_cell_angle_gamma   60.03
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CuPt2
_chemical_formula_sum   'Cu4 Pt8'
_cell_volume   175.47
_cell_formula_units_Z   4
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  0.32  0.01  0.86  1.0
  Cu  Cu1  2  0.32  0.18  0.62  1.0
  Pt  Pt2  2  0.07  0.21  0.14  1.0
  Pt  Pt3  2  0.07  0.83  0.38  1.0
  Pt  Pt4  2  0.33  0.58  0.38  1.0
  Pt  Pt5  2  0.33  0.93  0.14  1.0

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