data_CdFe2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   4.19
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   104.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFe2Re
_chemical_formula_sum   'Cd1 Fe2 Re1'
_cell_volume   58.26
_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  0.6  0.0  0.04  1.0
  Fe  Fe1  1  0.48  0.09  0.1  1.0
  Fe  Fe2  1  0.77  0.0  0.35  1.0
  Re  Re3  1  0.78  0.09  0.41  1.0

data_CdFe2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.19
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   104.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFe2Re
_chemical_formula_sum   'Cd1 Fe2 Re1'
_cell_volume   58.26
_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  0.6  0.0  0.04  1.0
  Fe  Fe1  1  0.48  0.09  0.1  1.0
  Fe  Fe2  1  0.77  0.0  0.35  1.0
  Re  Re3  1  0.78  0.09  0.41  1.0

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