data_[Ti6Bi2H2]
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 [P1]
_cell_length_a [5.1992]
_cell_length_b [5.8952]
_cell_length_c [5.9332]
_cell_angle_alpha [61.5690]
_cell_angle_beta [80.2748]
_cell_angle_gamma [79.8100]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ti3BiH]
_chemical_formula_sum '[Ti6 Bi2 H2]'
_cell_volume [156.6419]
_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
[
  Ti  Ti0  1  0.1428  0.6030  0.6465  1.0
  Ti  Ti1  1  0.2246  0.6010  0.1613  1.0
  Ti  Ti2  1  0.2294  0.1124  0.6480  1.0
  Ti  Ti3  1  0.6059  0.3709  0.8968  1.0
  Ti  Ti4  1  0.6158  0.8599  0.4119  1.0
  Ti  Ti5  1  0.6918  0.3653  0.4198  1.0
  Bi  Bi6  1  0.1086  0.1256  0.1602  1.0
  Bi  Bi7  1  0.7296  0.8502  0.8936  1.0
  H  H8  1  0.0139  0.4375  0.4844  1.0
  H  H9  1  0.4202  0.6250  0.3941  1.0
]