data_[Ti24Bi12H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.0112]
_cell_length_b [13.9130]
_cell_length_c [4.6613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ti6Bi3H]
_chemical_formula_sum '[Ti24 Bi12 H4]'
_cell_volume [714.1029]
_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  0.1664  0.2376  0.6607  1.0
  Ti  Ti1  8  0.1666  0.4249  0.1593  1.0
  Ti  Ti2  4  0.0000  0.0699  0.6553  1.0
  Ti  Ti3  4  0.0000  0.2639  0.1663  1.0
  Bi  Bi4  8  0.1681  0.0989  0.1544  1.0
  Bi  Bi5  4  0.0000  0.4037  0.6622  1.0
  H  H6  4  0.0000  0.2031  0.5527  1.0
]