data_[La8Hg2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [18.4089]
_cell_length_b [4.1624]
_cell_length_c [8.8545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4HgCl5]
_chemical_formula_sum '[La8 Hg2 Cl10]'
_cell_volume [656.3875]
_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
[
  La  La0  4  0.0114  0.0000  0.2593  1
  La  La1  4  0.1736  0.5000  0.0719  1
  Hg  Hg2  2  0.0000  0.5000  0.0000  1
  Cl  Cl3  4  0.1578  0.0000  0.8240  1
  Cl  Cl4  4  0.1744  0.0000  0.3076  1
  Cl  Cl5  2  0.0000  0.5000  0.5000  1
]