data_CuRePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   153.74
_cell_angle_beta   153.74
_cell_angle_gamma   37.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuRePd
_chemical_formula_sum   'Cu1 Re1 Pd1'
_cell_volume   42.11
_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  0.54  1.0
  Pd  Pd1  1  0.0  0.0  0.79  1.0

data_CuRePd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   108.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuRePd
_chemical_formula_sum   'Cu2 Re2 Pd2'
_cell_volume   84.22
_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
  Cu  Cu0  2  0.02  0.0  0.02  1.0
  Re  Re1  2  0.04  0.5  0.54  1.0
  Pd  Pd2  2  0.29  0.5  0.79  1.0

Cu Re Pd
Cu Re Pd 0 2 o o - 1 2 o o o 