data_[La8Tl10Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0544]
_cell_length_b [5.4575]
_cell_length_c [6.7942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0560]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4Tl5Hg]
_chemical_formula_sum '[La8 Tl10 Hg2]'
_cell_volume [613.4372]
_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  0.0908  0.0000  0.8289  1
  La  La1  4  0.1905  0.5000  0.3215  1
  Tl  Tl2  4  0.1014  0.0000  0.3526  1
  Tl  Tl3  4  0.2127  0.5000  0.8314  1
  Tl  Tl4  2  0.0000  0.5000  0.5000  1
  Hg  Hg5  2  0.0000  0.5000  0.0000  1
]