data_[Cs2Cu2Hg2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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/c]
_cell_length_a [7.4959]
_cell_length_b [5.6540]
_cell_length_c [7.3786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7412]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [CsCuHgS2]
_chemical_formula_sum '[Cs2 Cu2 Hg2 S4]'
_cell_volume [299.4631]
_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
[
  Cs  Cs0  2  0.5000  0.2311  0.7500  1
  Cu  Cu1  2  0.0000  0.0000  0.0000  1
  Hg  Hg2  2  0.0000  0.4570  0.2500  1
  S  S3  4  0.2020  0.2792  0.0496  1
]