data_[Mg4Hg4Ge8S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [12.7967]
_cell_length_b [11.7402]
_cell_length_c [6.6651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MgHg(GeS3)2]
_chemical_formula_sum '[Mg4 Hg4 Ge8 S24]'
_cell_volume [932.4691]
_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
[
  Mg  Mg0  4  0.0000  0.1087  0.2500  1.0
  Hg  Hg1  4  0.0000  0.2681  0.7500  1.0
  Ge  Ge2  8  0.2037  0.4226  0.2503  1.0
  S  S3  8  0.1116  0.0688  0.6381  1.0
  S  S4  8  0.1257  0.4397  0.5045  1.0
  S  S5  8  0.1339  0.2489  0.1195  1.0
]