data_[Hg12Sb4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3471]
_cell_length_b [8.3439]
_cell_length_c [10.4843]
_cell_angle_alpha [72.4626]
_cell_angle_beta [75.7060]
_cell_angle_gamma [70.5981]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hg3SbH]
_chemical_formula_sum '[Hg12 Sb4 H4]'
_cell_volume [570.2950]
_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  2  0.0496  0.1994  0.6903  1
  Hg  Hg1  2  0.0687  0.6294  0.8834  1
  Hg  Hg2  2  0.1503  0.8500  0.5413  1
  Hg  Hg3  2  0.3131  0.3723  0.3180  1
  Hg  Hg4  2  0.3789  0.6591  0.0258  1
  Hg  Hg5  2  0.4896  0.9601  0.2602  1
  Sb  Sb6  2  0.1397  0.9851  0.0832  1
  Sb  Sb7  2  0.4014  0.5153  0.6375  1
  H  H8  2  0.1335  0.3296  0.2639  1
  H  H9  2  0.1576  0.3194  0.5450  1
]