data_CuPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   8.1
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPt
_chemical_formula_sum   'Cu6 Pt6'
_cell_volume   167.21
_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  0.91  0.37  0.02  1.0
  Cu  Cu1  1  0.0  0.06  0.33  1.0
  Cu  Cu2  1  0.91  0.73  0.72  1.0
  Cu  Cu3  1  0.0  0.41  0.05  1.0
  Cu  Cu4  1  0.0  0.69  0.35  1.0
  Cu  Cu5  1  0.0  0.04  0.03  1.0
  Pt  Pt6  1  0.91  0.07  0.01  1.0
  Pt  Pt7  1  0.91  0.3  0.67  1.0
  Pt  Pt8  1  0.91  0.8  0.37  1.0
  Pt  Pt9  1  0.0  0.41  0.37  1.0
  Pt  Pt10  1  0.91  0.03  0.71  1.0
  Pt  Pt11  1  0.0  0.69  0.07  1.0

data_CuPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   5.4
_cell_length_c   8.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPt
_chemical_formula_sum   'Cu6 Pt6'
_cell_volume   167.21
_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  0.65  0.31  1.0
  Cu  Cu1  1  0.0  0.67  0.94  1.0
  Cu  Cu2  1  0.0  0.95  0.59  1.0
  Cu  Cu3  1  0.0  0.97  0.96  1.0
  Cu  Cu4  1  0.09  0.28  0.27  1.0
  Cu  Cu5  1  0.09  0.98  0.63  1.0
  Pt  Pt6  1  0.0  0.63  0.59  1.0
  Pt  Pt7  1  0.0  0.93  0.31  1.0
  Pt  Pt8  1  0.09  0.29  0.97  1.0
  Pt  Pt9  1  0.09  0.33  0.7  1.0
  Pt  Pt10  1  0.09  0.63  0.2  1.0
  Pt  Pt11  1  0.09  0.99  0.93  1.0

Cu Cu Cu Cu Cu Cu Pt Pt Pt Pt Pt Pt
Cu Cu Cu Cu Cu Cu Pt Pt Pt Pt Pt Pt 0 3 + o o 0 7 o o - 0 9 + o o 1 6 - o o 1 5 o o o 2 4 + o o 2 11 + o + 2 8 o o o 3 7 - o - 3 9 o o o 4 8 - o o 4 11 o o o 5 6 - o o 5 10 - o - 6 10 o o - 7 10 o o o 7 9 + o o 