data_[Hg3Sb1H2]
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 [4.5105]
_cell_length_b [5.3642]
_cell_length_c [5.6555]
_cell_angle_alpha [66.9991]
_cell_angle_beta [88.1808]
_cell_angle_gamma [85.7033]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hg3SbH2]
_chemical_formula_sum '[Hg3 Sb1 H2]'
_cell_volume [125.6024]
_cell_formula_units_Z [1]
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  0.0474  0.7857  0.7848  1
  Hg  Hg1  1  0.5000  0.5000  0.5000  1
  Sb  Sb2  1  0.5000  0.0000  0.0000  1
  H  H3  2  0.1958  0.3793  0.3874  1
]