data_[Rb4Hg4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5234]
_cell_length_b [4.2936]
_cell_length_c [8.5658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Hg2S3]
_chemical_formula_sum '[Rb4 Hg4 S6]'
_cell_volume [435.5840]
_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
[
  Rb  Rb0  4  0.0474  0.5000  0.7698  1
  Hg  Hg1  4  0.2029  0.0000  0.2942  1
  S  S2  4  0.1776  0.0000  0.6105  1
  S  S3  2  0.0000  0.0000  0.0000  1
]