data_[K2Cu4Hg2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2601]
_cell_length_b [5.3507]
_cell_length_c [8.4744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCu2HgS2]
_chemical_formula_sum '[K2 Cu4 Hg2 S4]'
_cell_volume [275.7728]
_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
[
  K  K0  2  0.2511  0.2500  0.5425  1.0
  Cu  Cu1  4  0.0214  0.0030  0.8400  1.0
  Hg  Hg2  2  0.3250  0.2500  0.0731  1.0
  S  S3  2  0.2389  0.7500  0.2916  1.0
  S  S4  2  0.2663  0.7500  0.7793  1.0
]