data_[Tl4In4Ag4Br20]
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 [C2/c]
_cell_length_a [10.0770]
_cell_length_b [13.2233]
_cell_length_c [9.5395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7727]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlInAgBr5]
_chemical_formula_sum '[Tl4 In4 Ag4 Br20]'
_cell_volume [1188.5215]
_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  0.3206  0.7500  1.0
  In  In1  4  0.0000  0.3369  0.2500  1.0
  Ag  Ag2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.1270  0.2223  0.1198  1.0
  Br  Br4  8  0.1743  0.4449  0.4543  1.0
  Br  Br5  4  0.0000  0.0794  0.7500  1.0
]