data_[La18Hg3Cl24]
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 [R-3]
_cell_length_a [7.1894]
_cell_length_b [7.1894]
_cell_length_c [31.3929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [La6HgCl8]
_chemical_formula_sum '[La18 Hg3 Cl24]'
_cell_volume [1405.2366]
_cell_formula_units_Z [3]
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  18  0.0004  0.3460  0.9428  1
  Hg  Hg1  3  0.0000  0.0000  0.0000  1
  Cl  Cl2  18  0.0006  0.3192  0.1110  1
  Cl  Cl3  6  0.0000  0.0000  0.3334  1
]