data_[Y4Zr4Tl8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.0364]
_cell_length_b [11.0364]
_cell_length_c [11.0364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [YZr(TlBr3)2]
_chemical_formula_sum '[Y4 Zr4 Tl8 Br24]'
_cell_volume [1344.2697]
_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
[
  Y  Y0  4  0.0000  0.0000  0.0000  1
  Zr  Zr1  4  0.0000  0.0000  0.5000  1
  Tl  Tl2  8  0.2500  0.2500  0.2500  1
  Br  Br3  24  0.0000  0.0000  0.2524  1
]