data_[Ti20Fe2Sb10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Fe  1.8300  1.4000  0.8525
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [10.5022]
_cell_length_b [10.5022]
_cell_length_c [5.2217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [97]
_chemical_formula_structural [Ti10FeSb5]
_chemical_formula_sum '[Ti20 Fe2 Sb10]'
_cell_volume [575.9367]
_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
[
  Ti  Ti0  16  0.0748  0.2165  0.2609  1.0
  Ti  Ti1  4  0.0000  0.5000  0.0000  1.0
  Fe  Fe2  2  0.0000  0.0000  0.5000  1.0
  Sb  Sb3  8  0.1639  0.3361  0.7500  1.0
  Sb  Sb4  2  0.0000  0.0000  0.0000  1.0
]