data_[Cu4Si2Hg2S8]
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
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.6934]
_cell_length_b [6.5163]
_cell_length_c [6.3183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Cu2SiHgS4]
_chemical_formula_sum '[Cu4 Si2 Hg2 S8]'
_cell_volume [316.7500]
_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  4  0.2487  0.6734  0.0065  1
  Si  Si1  2  0.0000  0.1816  0.0010  1
  Hg  Hg2  2  0.0000  0.8510  0.5109  1
  S  S3  4  0.2224  0.3409  0.8713  1
  S  S4  2  0.0000  0.2140  0.3419  1
  S  S5  2  0.0000  0.8583  0.9185  1
]