data_CuRePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   153.67
_cell_angle_beta   153.67
_cell_angle_gamma   37.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuRePt
_chemical_formula_sum   'Cu1 Re1 Pt1'
_cell_volume   42.88
_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  0.02  1.0
  Re  Re2  1  0.0  0.0  0.59  1.0
  Pt  Pt1  1  0.0  0.0  0.79  1.0

data_CuRePt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   108.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuRePt
_chemical_formula_sum   'Cu2 Re2 Pt2'
_cell_volume   85.75
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Re  Re0  2  0.0  0.0  0.41  1.0
  Cu  Cu1  2  0.0  0.0  0.98  1.0
  Pt  Pt2  2  0.0  0.0  0.21  1.0

Cu Re Pt