data_Cd2FeRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   9.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2FeRe
_chemical_formula_sum   'Cd2 Fe1 Re1'
_cell_volume   68.35
_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  0.16  1.0
  Cd  Cd1  1  0.58  0.0  0.85  1.0
  Fe  Fe2  1  0.0  0.0  0.55  1.0
  Re  Re3  1  0.58  0.0  0.64  1.0

data_Cd2FeRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   9.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2FeRe
_chemical_formula_sum   'Cd2 Fe1 Re1'
_cell_volume   68.35
_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  0.16  1.0
  Cd  Cd1  1  0.58  0.0  0.85  1.0
  Fe  Fe2  1  0.0  0.0  0.55  1.0
  Re  Re3  1  0.58  0.0  0.64  1.0

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