data_[Hf14Tl2Bi4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  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/m]
_cell_length_a [6.1421]
_cell_length_b [6.1243]
_cell_length_c [12.5476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf7Tl(BiH)2]
_chemical_formula_sum '[Hf14 Tl2 Bi4 H4]'
_cell_volume [464.5103]
_cell_formula_units_Z [2]
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
[
  Hf  Hf0  8  0.1811  0.2510  0.8124  1.0
  Hf  Hf1  4  0.1389  0.5000  0.3969  1.0
  Hf  Hf2  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl3  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi4  4  0.1349  0.0000  0.3697  1.0
  H  H5  4  0.0626  0.5000  0.1687  1.0
]