data_[Ti12Ge4Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ge  2.0100  1.2500  0.7700
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7026]
_cell_length_b [3.7490]
_cell_length_c [6.5816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti3GeSb]
_chemical_formula_sum '[Ti12 Ge4 Sb4]'
_cell_volume [362.4982]
_cell_formula_units_Z [4]
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  4  0.0083  0.0000  0.7344  1
  Ti  Ti1  4  0.0972  0.5000  0.0559  1
  Ti  Ti2  4  0.1970  0.0000  0.3624  1
  Ge  Ge3  4  0.0904  0.5000  0.4872  1
  Sb  Sb4  4  0.1973  0.0000  0.8222  1
]