data_[Ta8Ti24Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [14.1809]
_cell_length_b [10.7700]
_cell_length_c [4.6727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ta2Ti6Bi]
_chemical_formula_sum '[Ta8 Ti24 Bi4]'
_cell_volume [713.6586]
_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
[
  Ta  Ta0  8  0.2128  0.4323  0.7500  1
  Ti  Ti1  8  0.0986  0.0649  0.2500  1
  Ti  Ti2  8  0.1094  0.3394  0.2500  1
  Ti  Ti3  8  0.2028  0.1815  0.7500  1
  Bi  Bi4  4  0.0000  0.2030  0.7500  1
]