data_[Rb4Sn4Hg4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sn  1.9600  1.4500  0.8300
  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 [11.4035]
_cell_length_b [8.5981]
_cell_length_c [8.8748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbSnHgS3]
_chemical_formula_sum '[Rb4 Sn4 Hg4 S12]'
_cell_volume [761.6969]
_cell_formula_units_Z [4]
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  0.1841  0.5000  0.1898  1.0
  Sn  Sn1  4  0.0517  0.0000  0.1848  1.0
  Hg  Hg2  4  0.0000  0.2744  0.5000  1.0
  S  S3  8  0.0666  0.2362  0.8010  1.0
  S  S4  4  0.2232  0.5000  0.5858  1.0
]