data_[Th2Mg4Tl4]
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 [8.8062]
_cell_length_b [4.7385]
_cell_length_c [7.3241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th(MgTl)2]
_chemical_formula_sum '[Th2 Mg4 Tl4]'
_cell_volume [265.6281]
_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  2  0.0000  0.5000  0.0000  1
  Mg  Mg1  4  0.1958  0.5000  0.6104  1
  Tl  Tl2  4  0.0696  0.0000  0.7506  1
]