data_[La20Tl4Hg4]
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/c]
_cell_length_a [11.2823]
_cell_length_b [6.8822]
_cell_length_c [12.5311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La5TlHg]
_chemical_formula_sum '[La20 Tl4 Hg4]'
_cell_volume [954.0760]
_cell_formula_units_Z [4]
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  8  0.1487  0.3919  0.5618  1
  La  La1  8  0.2383  0.1450  0.1519  1
  La  La2  4  0.0000  0.0658  0.7500  1
  Tl  Tl3  4  0.0000  0.4180  0.2500  1
  Hg  Hg4  4  0.0000  0.0000  0.0000  1
]