data_[Rb4Sn2Hg2S8]
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]
_cell_length_a [10.4187]
_cell_length_b [8.7807]
_cell_length_c [7.4247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.1858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Rb2SnHgS4]
_chemical_formula_sum '[Rb4 Sn2 Hg2 S8]'
_cell_volume [503.2918]
_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  2  0.0000  0.5734  0.0000  1.0
  Rb  Rb1  2  0.0000  0.7577  0.5000  1.0
  Sn  Sn2  2  0.0000  0.2597  0.5000  1.0
  Hg  Hg3  2  0.0000  0.0604  0.0000  1.0
  S  S4  4  0.1557  0.0931  0.4312  1.0
  S  S5  4  0.2164  0.3878  0.8791  1.0
]