data_[Ti14Ge2Bi4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ge  2.0100  1.2500  0.7700
  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 [5.7504]
_cell_length_b [5.7334]
_cell_length_c [11.6599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1646]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti7Ge(BiH)2]
_chemical_formula_sum '[Ti14 Ge2 Bi4 H4]'
_cell_volume [377.1387]
_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  0.1830  0.2509  0.8294  1.0
  Ti  Ti1  4  0.1474  0.5000  0.3976  1.0
  Ti  Ti2  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge3  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi4  4  0.1392  0.0000  0.3592  1.0
  H  H5  4  0.0682  0.5000  0.1722  1.0
]