data_[Na2Y2Tl4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6863]
_cell_length_b [8.1502]
_cell_length_c [13.4049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaY(TlBr3)2]
_chemical_formula_sum '[Na2 Y2 Tl4 Br12]'
_cell_volume [695.1987]
_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
[
  Na  Na0  2  0.5000  0.0000  0.0000  1.0
  Y  Y1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.2815  0.0787  0.2542  1.0
  Br  Br3  4  0.1370  0.0265  0.7431  1.0
  Br  Br4  4  0.2365  0.7097  0.5532  1.0
  Br  Br5  4  0.3472  0.1879  0.5489  1.0
]