data_[Th10Mg4Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.0803]
_cell_length_b [3.5262]
_cell_length_c [8.9033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0469]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th5(MgTl2)2]
_chemical_formula_sum '[Th10 Mg4 Tl8]'
_cell_volume [655.2600]
_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
[
  Th  Th0  4  0.1340  0.0000  0.9693  1
  Th  Th1  4  0.1753  0.0000  0.4129  1
  Th  Th2  2  0.0000  0.5000  0.0000  1
  Mg  Mg3  4  0.0824  0.5000  0.6125  1
  Tl  Tl4  4  0.0193  0.0000  0.3264  1
  Tl  Tl5  4  0.2194  0.5000  0.7740  1
]