data_[Hg4Sb1]
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
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.8223]
_cell_length_b [4.9823]
_cell_length_c [19.6899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Hg4Sb]
_chemical_formula_sum '[Hg4 Sb1]'
_cell_volume [571.1640]
_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  1  0.0125  0.0000  0.6266  1
  Hg  Hg1  1  0.4451  0.0000  0.4528  1
  Hg  Hg2  1  0.9399  0.5000  0.5155  1
  Hg  Hg3  1  0.9440  0.0000  0.3884  1
  Sb  Sb4  1  0.4411  0.5000  0.5166  1
]