data_Cd4Re3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.0
_cell_length_b   15.0
_cell_length_c   15.0
_cell_angle_alpha   168.76
_cell_angle_beta   168.76
_cell_angle_gamma   15.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd4Re3
_chemical_formula_sum   'Cd4 Re3'
_cell_volume   128.43
_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  0.49  1.0
  Cd  Cd1  1  0.0  0.0  0.77  1.0
  Cd  Cd2  1  0.0  0.0  0.95  1.0
  Cd  Cd3  1  0.0  0.0  0.23  1.0
  Re  Re4  1  0.0  0.0  0.0  1.0
  Re  Re5  1  0.0  0.0  0.17  1.0
  Re  Re6  1  0.0  0.0  0.55  1.0

data_Cd4Re3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   15.0
_cell_angle_alpha   90.0
_cell_angle_beta   97.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd4Re3
_chemical_formula_sum   'Cd8 Re6'
_cell_volume   256.86
_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
  Cd  Cd0  2  0.23  0.0  0.23  1.0
  Cd  Cd1  2  0.27  0.5  0.77  1.0
  Cd  Cd2  2  0.45  0.5  0.95  1.0
  Cd  Cd3  2  0.49  0.0  0.49  1.0
  Re  Re4  2  0.0  0.0  0.0  1.0
  Re  Re5  2  0.05  0.5  0.55  1.0
  Re  Re6  2  0.17  0.0  0.17  1.0

Cd Cd Cd Cd Re Re Re
Cd Cd Cd Cd Re Re Re 0 6 o o o 1 1 + o + 1 1 o + + 1 2 o o o 2 4 o o + 3 5 o o o 