data_[Hg4Bi8H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.6199]
_cell_length_b [17.4706]
_cell_length_c [4.4641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0159]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HgBi2H3]
_chemical_formula_sum '[Hg4 Bi8 H12]'
_cell_volume [594.2805]
_cell_formula_units_Z [4]
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
[
  Hg  Hg0  4  0.0000  0.4331  0.2500  1
  Bi  Bi1  8  0.2292  0.3091  0.7500  1
  H  H2  8  0.0485  0.0536  0.7651  1
  H  H3  4  0.0000  0.1782  0.2500  1
]