data_[La12Th2Tl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Th  1.3000  1.8000  1.0800
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.6692]
_cell_length_b [7.9200]
_cell_length_c [17.1830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La6ThTl5]
_chemical_formula_sum '[La12 Th2 Tl10]'
_cell_volume [771.5117]
_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  8  0.0000  0.2560  0.1721  1
  La  La1  4  0.0000  0.2330  0.5000  1
  Th  Th2  2  0.0000  0.0000  0.0000  1
  Tl  Tl3  4  0.0000  0.0000  0.3318  1
  Tl  Tl4  4  0.0000  0.5000  0.3475  1
  Tl  Tl5  2  0.0000  0.5000  0.0000  1
]