data_[La6Hg26]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.4261]
_cell_length_b [7.1833]
_cell_length_c [11.4787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [La3Hg13]
_chemical_formula_sum '[La6 Hg26]'
_cell_volume [859.6888]
_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  0.2543  0.0000  0.9787  1.0
  La  La1  2  0.0000  0.0000  0.3068  1.0
  Hg  Hg2  8  0.2569  0.2476  0.2330  1.0
  Hg  Hg3  4  0.0000  0.2456  0.0581  1.0
  Hg  Hg4  4  0.2405  0.0000  0.4918  1.0
  Hg  Hg5  4  0.5000  0.2072  0.4779  1.0
  Hg  Hg6  2  0.0000  0.0000  0.7979  1.0
  Hg  Hg7  2  0.5000  0.0000  0.1803  1.0
  Hg  Hg8  2  0.5000  0.0000  0.7699  1.0
]