data_[Ti14In2Bi4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  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 [5.8014]
_cell_length_b [5.7972]
_cell_length_c [11.9455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3013]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti7In(BiH)2]
_chemical_formula_sum '[Ti14 In2 Bi4 H4]'
_cell_volume [392.5250]
_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  8  0.1688  0.2510  0.8165  1.0
  Ti  Ti1  4  0.1657  0.5000  0.3899  1.0
  Ti  Ti2  2  0.0000  0.5000  0.0000  1.0
  In  In3  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi4  4  0.1593  0.0000  0.3668  1.0
  H  H5  4  0.0767  0.5000  0.1722  1.0
]