data_[Cs2La2Hg2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  La  1.1000  1.9500  1.1720
  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 [9.4285]
_cell_length_b [4.3531]
_cell_length_c [10.3413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5026]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsLaHgS3]
_chemical_formula_sum '[Cs2 La2 Hg2 S6]'
_cell_volume [404.7958]
_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
[
  Cs  Cs0  2  0.2082  0.2500  0.2359  1.0
  La  La1  2  0.3335  0.7500  0.8577  1.0
  Hg  Hg2  2  0.0911  0.2500  0.6182  1.0
  S  S3  2  0.1256  0.2500  0.8683  1.0
  S  S4  2  0.2015  0.7500  0.5399  1.0
  S  S5  2  0.4666  0.7500  0.1422  1.0
]