data_CuRuPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   146.08
_cell_angle_beta   131.59
_cell_angle_gamma   60.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuRuPt
_chemical_formula_sum   'Cu1 Ru1 Pt1'
_cell_volume   41.95
_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  0.0  0.05  1.0
  Ru  Ru2  1  0.0  0.0  0.7  1.0
  Pt  Pt1  1  0.0  0.0  0.37  1.0

data_CuRuPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   3.82
_cell_length_c   4.66
_cell_angle_alpha   114.21
_cell_angle_beta   106.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuRuPt
_chemical_formula_sum   'Cu1 Ru1 Pt1'
_cell_volume   41.95
_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  0.95  0.95  0.95  1.0
  Ru  Ru1  1  0.3  0.3  0.3  1.0
  Pt  Pt2  1  0.63  0.63  0.63  1.0

Cu Ru Pt
Cu Ru Pt 0 1 o o - 0 2 o o o 1 2 o o o 