data_CdFe2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   4.61
_cell_angle_alpha   108.01
_cell_angle_beta   108.01
_cell_angle_gamma   34.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFe2Sb
_chemical_formula_sum   'Cd1 Fe2 Sb1'
_cell_volume   67.59
_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  0.02  0.0  0.91  1.0
  Fe  Fe1  1  0.16  0.0  0.35  1.0
  Fe  Fe2  1  0.64  0.0  0.26  1.0
  Sb  Sb3  1  0.38  0.0  0.39  1.0

data_CdFe2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.61
_cell_length_c   5.22
_cell_angle_alpha   108.01
_cell_angle_beta   107.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFe2Sb
_chemical_formula_sum   'Cd1 Fe2 Sb1'
_cell_volume   67.59
_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  0.91  0.02  1.0
  Fe  Fe1  1  0.0  0.26  0.64  1.0
  Fe  Fe2  1  0.0  0.35  0.16  1.0
  Sb  Sb3  1  0.0  0.39  0.38  1.0

Cd Fe Fe Sb