data_[Hg12Sb2Au2I4]
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
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4777]
_cell_length_b [8.3843]
_cell_length_c [12.0797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0176]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hg6SbAuI2]
_chemical_formula_sum '[Hg12 Sb2 Au2 I4]'
_cell_volume [668.5780]
_cell_formula_units_Z [2]
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  0.1954  0.7260  0.4849  1.0
  Hg  Hg1  4  0.2255  0.2460  0.4776  1.0
  Hg  Hg2  4  0.3498  0.5057  0.2297  1.0
  Sb  Sb3  2  0.5000  0.0000  0.0000  1.0
  Au  Au4  2  0.0000  0.0000  0.5000  1.0
  I  I5  4  0.2022  0.5032  0.7527  1.0
]