data_Cu4Pt7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   6.1
_cell_length_c   6.12
_cell_angle_alpha   107.63
_cell_angle_beta   104.87
_cell_angle_gamma   97.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu4Pt7
_chemical_formula_sum   'Cu4 Pt7'
_cell_volume   159.37
_cell_formula_units_Z   1
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  0.61  0.42  0.03  1.0
  Cu  Cu1  1  0.81  0.57  0.52  1.0
  Cu  Cu2  1  0.81  0.73  0.54  1.0
  Cu  Cu3  1  0.6  0.25  0.01  1.0
  Pt  Pt4  1  0.15  0.66  0.52  1.0
  Pt  Pt5  1  0.17  0.81  0.55  1.0
  Pt  Pt6  1  0.81  0.9  0.54  1.0
  Pt  Pt7  1  0.0  0.0  0.0  1.0
  Pt  Pt8  1  0.6  0.09  0.01  1.0
  Pt  Pt9  1  0.24  0.17  0.99  1.0
  Pt  Pt10  1  0.26  0.33  0.02  1.0

data_Cu4Pt7
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.75
_cell_length_b   6.1
_cell_length_c   6.12
_cell_angle_alpha   107.63
_cell_angle_beta   104.87
_cell_angle_gamma   97.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu4Pt7
_chemical_formula_sum   'Cu4 Pt7'
_cell_volume   159.37
_cell_formula_units_Z   1
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  0.6  0.25  0.01  1.0
  Cu  Cu1  1  0.61  0.42  0.03  1.0
  Cu  Cu2  1  0.81  0.57  0.52  1.0
  Cu  Cu3  1  0.81  0.73  0.54  1.0
  Pt  Pt4  1  0.0  0.0  0.0  1.0
  Pt  Pt5  1  0.15  0.66  0.52  1.0
  Pt  Pt6  1  0.17  0.81  0.55  1.0
  Pt  Pt7  1  0.24  0.17  0.99  1.0
  Pt  Pt8  1  0.26  0.33  0.02  1.0
  Pt  Pt9  1  0.6  0.09  0.01  1.0
  Pt  Pt10  1  0.81  0.9  0.54  1.0

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