data_CdInFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   4.35
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   99.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInFe2
_chemical_formula_sum   'Cd1 In1 Fe2'
_cell_volume   66.85
_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  0.09  0.0  0.21  1.0
  In  In3  1  0.96  0.18  0.45  1.0
  Fe  Fe1  1  0.61  0.18  0.05  1.0
  Fe  Fe2  1  0.2  0.0  0.29  1.0

data_CdInFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.35
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   99.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInFe2
_chemical_formula_sum   'Cd1 In1 Fe2'
_cell_volume   66.85
_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  0.09  0.0  0.21  1.0
  In  In1  1  0.96  0.18  0.45  1.0
  Fe  Fe2  1  0.2  0.0  0.29  1.0
  Fe  Fe3  1  0.61  0.18  0.05  1.0

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