data_[Rb2Hg2As2S8]
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
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5532]
_cell_length_b [7.4825]
_cell_length_c [9.3006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6866]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbHgAsS4]
_chemical_formula_sum '[Rb2 Hg2 As2 S8]'
_cell_volume [439.0630]
_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  0.2364  0.2500  0.0684  1.0
  Hg  Hg1  2  0.2375  0.2500  0.6109  1.0
  As  As2  2  0.2124  0.7500  0.2949  1.0
  S  S3  4  0.0035  0.0216  0.7096  1.0
  S  S4  2  0.3382  0.7500  0.1045  1.0
  S  S5  2  0.4722  0.7500  0.5060  1.0
]