data_[K2Tl2In2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.7787]
_cell_length_b [4.6468]
_cell_length_c [10.8445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8497]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTlInBr3]
_chemical_formula_sum '[K2 Tl2 In2 Br6]'
_cell_volume [492.7119]
_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
[
  K  K0  2  0.1325  0.7500  0.8620  1.0
  Tl  Tl1  2  0.3999  0.2500  0.1730  1.0
  In  In2  2  0.1290  0.7500  0.4599  1.0
  Br  Br3  2  0.1091  0.7500  0.1760  1.0
  Br  Br4  2  0.3171  0.2500  0.4675  1.0
  Br  Br5  2  0.3638  0.2500  0.8667  1.0
]