data_[Tl8In4Ag4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [9.1562]
_cell_length_b [9.3590]
_cell_length_c [12.8932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Tl2InAgBr4]
_chemical_formula_sum '[Tl8 In4 Ag4 Br16]'
_cell_volume [1104.8628]
_cell_formula_units_Z [4]
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
[
  Tl  Tl0  4  0.0000  0.0000  0.5000  1
  Tl  Tl1  4  0.2500  0.2500  0.2500  1
  In  In2  4  0.2500  0.2500  0.7500  1
  Ag  Ag3  4  0.0000  0.0000  0.0000  1
  Br  Br4  8  0.0000  0.0019  0.7840  1
  Br  Br5  8  0.2361  0.2500  0.9987  1
]