data_[Bi3H9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [5.9045]
_cell_length_b [5.9045]
_cell_length_c [22.4367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [BiH3]
_chemical_formula_sum '[Bi3 H9]'
_cell_volume [677.4195]
_cell_formula_units_Z [3]
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
[
  Bi  Bi0  2  0.3333  0.6667  0.3617  1
  Bi  Bi1  1  0.0000  0.0000  0.3717  1
  H  H2  6  0.0735  0.3730  0.6215  1
  H  H3  2  0.3333  0.6667  0.4430  1
  H  H4  1  0.0000  0.0000  0.2900  1
]