data_[Cu2Si2Ag2Hg2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.6034]
_cell_length_b [5.6034]
_cell_length_c [10.8018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [CuSiAgHgS4]
_chemical_formula_sum '[Cu2 Si2 Ag2 Hg2 S8]'
_cell_volume [339.1519]
_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
[
  Cu  Cu0  2  0.0000  0.0000  0.5000  1
  Si  Si1  2  0.0000  0.5000  0.2500  1
  Ag  Ag2  2  0.0000  0.0000  0.0000  1
  Hg  Hg3  2  0.0000  0.5000  0.7500  1
  S  S4  8  0.1968  0.2669  0.3723  1
]