data_[Tl4In2Pb4Br14]
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
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.0183]
_cell_length_b [27.1345]
_cell_length_c [6.5158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Tl2InPb2Br7]
_chemical_formula_sum '[Tl4 In2 Pb4 Br14]'
_cell_volume [1064.0585]
_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
[
  Tl  Tl0  4  0.0000  0.2745  0.4966  1.0
  In  In1  2  0.0000  0.0000  0.1945  1.0
  Pb  Pb2  4  0.0000  0.3918  0.0250  1.0
  Br  Br3  4  0.0000  0.1015  0.4616  1.0
  Br  Br4  4  0.0000  0.2783  0.9958  1.0
  Br  Br5  4  0.0000  0.3931  0.4629  1.0
  Br  Br6  2  0.0000  0.5000  0.9213  1.0
]