data_[Ti24Ge8Bi8]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.4150]
_cell_length_b [11.9678]
_cell_length_c [5.6711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1070]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti3GeBi]
_chemical_formula_sum '[Ti24 Ge8 Bi8]'
_cell_volume [768.7906]
_cell_formula_units_Z [8]
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  8  0.1293  0.3130  0.5466  1
  Ti  Ti1  8  0.1587  0.1843  0.1174  1
  Ti  Ti2  8  0.1837  0.0692  0.6108  1
  Ge  Ge3  4  0.0000  0.0451  0.2500  1
  Ge  Ge4  4  0.0000  0.1737  0.7500  1
  Bi  Bi5  8  0.1243  0.4164  0.0201  1
]