data_CdFeRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   136.09
_cell_angle_beta   136.09
_cell_angle_gamma   63.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFeRe2
_chemical_formula_sum   'Cd1 Fe1 Re2'
_cell_volume   59.43
_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  0.25  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.87  0.0  0.12  1.0
  Re  Re3  1  0.0  0.87  0.12  1.0

data_CdFeRe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   121.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdFeRe2
_chemical_formula_sum   'Cd2 Fe2 Re4'
_cell_volume   118.86
_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  0.0  0.0  0.25  1.0
  Fe  Fe1  2  0.0  0.0  0.0  1.0
  Re  Re2  4  0.06  0.06  0.25  1.0

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