data_[Th2Tl10Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5822]
_cell_length_b [6.0849]
_cell_length_c [9.1401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3581]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th(TlSe)5]
_chemical_formula_sum '[Th2 Tl10 Se10]'
_cell_volume [765.1598]
_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  0.0000  0.0000  1
  Tl  Tl1  4  0.1761  0.5000  0.8420  1
  Tl  Tl2  4  0.1841  0.5000  0.3169  1
  Tl  Tl3  2  0.0000  0.0000  0.5000  1
  Se  Se4  4  0.1487  0.0000  0.3044  1
  Se  Se5  4  0.1512  0.0000  0.8514  1
  Se  Se6  2  0.0000  0.5000  0.0000  1
]