data_Cd2CuRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   151.47
_cell_angle_beta   128.99
_cell_angle_gamma   59.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CuRe
_chemical_formula_sum   'Cd2 Cu1 Re1'
_cell_volume   68.65
_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  0.85  1.0
  Cd  Cd1  1  0.41  0.0  0.64  1.0
  Cu  Cu2  1  0.0  0.0  0.07  1.0
  Re  Re3  1  0.0  0.46  0.28  1.0

data_Cd2CuRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.92
_cell_length_c   5.71
_cell_angle_alpha   115.51
_cell_angle_beta   104.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CuRe
_chemical_formula_sum   'Cd2 Cu1 Re1'
_cell_volume   68.65
_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  0.15  0.15  0.15  1.0
  Cd  Cd1  1  0.77  0.36  0.77  1.0
  Re  Re2  1  0.72  0.18  0.18  1.0
  Cu  Cu3  1  0.93  0.93  0.93  1.0

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