data_[Zr2Tl4I2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [7.6203]
_cell_length_b [7.6203]
_cell_length_c [12.0334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [ZrTl2IBr5]
_chemical_formula_sum '[Zr2 Tl4 I2 Br10]'
_cell_volume [698.7777]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.9800  1.0
  Tl  Tl1  4  0.0000  0.5000  0.3069  1.0
  I  I2  2  0.0000  0.0000  0.2224  1.0
  Br  Br3  8  0.2455  0.2455  0.9809  1.0
  Br  Br4  2  0.0000  0.0000  0.7600  1.0
]