data_[Tl12Bi8H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.3462]
_cell_length_b [7.4797]
_cell_length_c [10.8820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5904]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl3(BiH2)2]
_chemical_formula_sum '[Tl12 Bi8 H16]'
_cell_volume [885.0621]
_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
[
  Tl  Tl0  8  0.1906  0.2253  0.6385  1
  Tl  Tl1  4  0.0000  0.4970  0.7500  1
  Bi  Bi2  8  0.1368  0.2993  0.0391  1
  H  H3  8  0.1199  0.0586  0.0878  1
  H  H4  8  0.1567  0.3545  0.4244  1
]