data_[Ti20Ge4Bi8]
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 [Cmcm]
_cell_length_a [4.7536]
_cell_length_b [13.4082]
_cell_length_c [11.5780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ti5GeBi2]
_chemical_formula_sum '[Ti20 Ge4 Bi8]'
_cell_volume [737.9506]
_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  8  0.0000  0.1181  0.1355  1
  Ti  Ti1  8  0.0000  0.3021  0.0207  1
  Ti  Ti2  4  0.0000  0.2988  0.7500  1
  Ge  Ge3  4  0.0000  0.2903  0.2500  1
  Bi  Bi4  8  0.0000  0.0978  0.6110  1
]