data_CdCu2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   133.58
_cell_angle_beta   133.58
_cell_angle_gamma   67.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCu2Re
_chemical_formula_sum   'Cd1 Cu2 Re1'
_cell_volume   59.2
_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
  Cd  Cd0  1  0.0  0.0  0.03  1.0
  Cu  Cu1  1  0.0  0.92  0.02  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.92  0.0  0.02  1.0

data_CdCu2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   4.86
_cell_angle_alpha   113.21
_cell_angle_beta   113.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCu2Re
_chemical_formula_sum   'Cd1 Cu2 Re1'
_cell_volume   59.2
_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
  Cd  Cd0  1  0.03  0.03  0.03  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.02  0.1  0.1  1.0
  Cu  Cu3  1  0.1  0.02  0.1  1.0

Cd Cu Cu Re
Cd Cu Cu Re 0 2 o o o 0 1 o - o 0 3 - o o 