data_Cd2FeRe
_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   129.39
_cell_angle_beta   129.39
_cell_angle_gamma   74.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2FeRe
_chemical_formula_sum   'Cd2 Fe1 Re1'
_cell_volume   66.79
_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  0.87  1.0
  Cd  Cd1  1  0.0  0.08  0.94  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.08  0.0  0.94  1.0

data_Cd2FeRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   4.86
_cell_angle_alpha   115.31
_cell_angle_beta   115.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2FeRe
_chemical_formula_sum   'Cd2 Fe1 Re1'
_cell_volume   66.79
_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  0.13  0.0  0.13  1.0
  Cd  Cd1  1  0.14  0.08  0.14  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.06  0.0  0.14  1.0

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