data_[Ga8Hg4Ge4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.3518]
_cell_length_b [13.6040]
_cell_length_c [6.4540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ga2HgGeS6]
_chemical_formula_sum '[Ga8 Hg4 Ge4 S24]'
_cell_volume [1143.7016]
_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
[
  Ga  Ga0  8  0.0692  0.4159  0.1196  1.0
  Hg  Hg1  4  0.0000  0.0897  0.2500  1.0
  Ge  Ge2  4  0.0000  0.1999  0.7500  1.0
  S  S3  8  0.1035  0.1050  0.6503  1.0
  S  S4  8  0.1114  0.4309  0.5140  1.0
  S  S5  8  0.1281  0.2763  0.0410  1.0
]