data_[Na2Tl1Sb1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.4775]
_cell_length_b [9.6849]
_cell_length_c [6.8230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8462]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2TlSbBr8]
_chemical_formula_sum '[Na2 Tl1 Sb1 Br8]'
_cell_volume [425.8079]
_cell_formula_units_Z [1]
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  0.2465  0.5000  1.0
  Tl  Tl1  1  0.0000  0.5000  0.0000  1.0
  Sb  Sb2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.2219  0.2026  0.8520  1.0
  Br  Br4  2  0.2447  0.5000  0.4858  1.0
  Br  Br5  2  0.2627  0.0000  0.3328  1.0
]