data_[Rb2Lu2Hg2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Lu  1.2700  1.7500  1.0010
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3599]
_cell_length_b [4.0722]
_cell_length_c [10.4842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbLuHgS3]
_chemical_formula_sum '[Rb2 Lu2 Hg2 S6]'
_cell_volume [335.0542]
_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  0.2557  0.2500  0.7723  1
  Lu  Lu1  2  0.3255  0.7500  0.3698  1
  Hg  Hg2  2  0.0904  0.2500  0.1174  1
  S  S3  2  0.0977  0.2500  0.3579  1
  S  S4  2  0.2514  0.7500  0.0669  1
  S  S5  2  0.4637  0.7500  0.6335  1
]