data_[Ba2Tl2Ag2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6425]
_cell_length_b [7.6125]
_cell_length_c [9.2449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaTlAgBr4]
_chemical_formula_sum '[Ba2 Tl2 Ag2 Br8]'
_cell_volume [511.0652]
_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
[
  Ba  Ba0  2  0.2309  0.7500  0.5577  1.0
  Tl  Tl1  2  0.2499  0.7500  0.0563  1.0
  Ag  Ag2  2  0.2385  0.2500  0.3026  1.0
  Br  Br3  4  0.0171  0.0097  0.7355  1.0
  Br  Br4  2  0.4430  0.2500  0.1186  1.0
  Br  Br5  2  0.4449  0.2500  0.6016  1.0
]