data_[Cs1La1Hg2Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7066]
_cell_length_b [6.7514]
_cell_length_c [10.3777]
_cell_angle_alpha [87.0561]
_cell_angle_beta [86.4321]
_cell_angle_gamma [71.5209]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsLa(HgCl4)2]
_chemical_formula_sum '[Cs1 La1 Hg2 Cl8]'
_cell_volume [444.5490]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  La  La1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.3494  0.3440  0.7740  1.0
  Cl  Cl3  2  0.2192  0.7522  0.2001  1.0
  Cl  Cl4  2  0.2449  0.7725  0.7980  1.0
  Cl  Cl5  2  0.2653  0.2620  0.9985  1.0
  Cl  Cl6  2  0.3359  0.3142  0.5487  1.0
]