data_[Ta2Fe4Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Fe  1.8300  1.4000  0.8525
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0808]
_cell_length_b [3.2150]
_cell_length_c [4.2432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaFe2Sb]
_chemical_formula_sum '[Ta2 Fe4 Sb2]'
_cell_volume [119.7332]
_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  0.2572  0.0000  0.8139  1
  Fe  Fe1  2  0.2593  0.5000  0.3116  1
  Fe  Fe2  2  0.4879  0.5000  0.9327  1
  Sb  Sb3  2  0.4955  0.0000  0.4418  1
]