data_[Ta2Cd2Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cd  1.6900  1.5500  1.0900
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.0029]
_cell_length_b [4.4337]
_cell_length_c [9.0530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [TaCdFe2]
_chemical_formula_sum '[Ta2 Cd2 Fe4]'
_cell_volume [120.5303]
_cell_formula_units_Z [2]
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
[
  Ta  Ta0  2  0.0000  0.0000  0.4836  1
  Cd  Cd1  2  0.0000  0.5000  0.2640  1
  Fe  Fe2  2  0.0000  0.0000  0.0217  1
  Fe  Fe3  2  0.0000  0.5000  0.7307  1
]