data_[Th2Tl2Te4Br2]
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
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.6713]
_cell_length_b [4.5299]
_cell_length_c [9.6935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ThTlTe2Br]
_chemical_formula_sum '[Th2 Tl2 Te4 Br2]'
_cell_volume [409.9947]
_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  0.1778  0.2500  0.1761  1
  Tl  Tl1  2  0.3196  0.7500  0.7786  1
  Te  Te2  2  0.0563  0.2500  0.8349  1
  Te  Te3  2  0.3877  0.7500  0.1438  1
  Br  Br4  2  0.2480  0.2500  0.4734  1
]