data_[Rb4U2Hg2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  U  1.3800  1.7500  0.9913
  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 [14.8242]
_cell_length_b [6.7515]
_cell_length_c [6.3843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2UHgS6]
_chemical_formula_sum '[Rb4 U2 Hg2 S12]'
_cell_volume [618.2265]
_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  0.2262  0.0000  0.2132  1
  U  U1  2  0.0000  0.5000  0.0000  1
  Hg  Hg2  2  0.0000  0.0000  0.5000  1
  S  S3  8  0.0742  0.2379  0.7947  1
  S  S4  4  0.1555  0.5000  0.2503  1
]