data_[Ga8Hg4Te4S24]
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
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.9936]
_cell_length_b [11.0340]
_cell_length_c [7.3071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6125]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ga2HgTeS6]
_chemical_formula_sum '[Ga8 Hg4 Te4 S24]'
_cell_volume [992.8355]
_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  0.2116  0.4197  0.1962  1
  Hg  Hg1  4  0.0000  0.2251  0.2500  1
  Te  Te2  4  0.0000  0.2436  0.7500  1
  S  S3  8  0.1046  0.0992  0.6321  1
  S  S4  8  0.1368  0.4593  0.4365  1
  S  S5  8  0.1449  0.2209  0.1069  1
]