data_[Hg4Sb4S10]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9487]
_cell_length_b [4.0429]
_cell_length_c [6.6253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8197]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg2Sb2S5]
_chemical_formula_sum '[Hg4 Sb4 S10]'
_cell_volume [503.9553]
_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  0.1313  0.0000  0.8281  1.0
  Sb  Sb1  4  0.0709  0.5000  0.2731  1.0
  S  S2  4  0.1439  0.0000  0.4626  1.0
  S  S3  4  0.1688  0.5000  0.0594  1.0
  S  S4  2  0.0000  0.0000  0.0000  1.0
]