data_Cu2PPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   141.1
_cell_angle_beta   131.72
_cell_angle_gamma   63.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2PPt
_chemical_formula_sum   'Cu2 P1 Pt1'
_cell_volume   52.62
_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  0.0  0.87  1.0
  Cu  Cu1  1  0.0  0.98  0.24  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.12  1.0

data_Cu2PPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   3.96
_cell_length_c   4.84
_cell_angle_alpha   114.14
_cell_angle_beta   109.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2PPt
_chemical_formula_sum   'Cu2 P1 Pt1'
_cell_volume   52.62
_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  0.0  0.87  0.26  1.0
  Cu  Cu1  1  0.02  0.26  0.26  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.12  0.12  1.0

Cu Cu P Pt
Cu Cu P Pt 0 1 + - + 0 3 + o + 0 2 + o + 1 3 o + o 2 3 o o o 