data_[Zr24Tl12O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.2796]
_cell_length_b [15.9476]
_cell_length_c [5.3182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Zr6Tl3O]
_chemical_formula_sum '[Zr24 Tl12 O4]'
_cell_volume [871.8358]
_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
[
  Zr  Zr0  8  0.1645  0.4252  0.8537  1.0
  Zr  Zr1  8  0.1696  0.2399  0.3027  1.0
  Zr  Zr2  4  0.0000  0.0683  0.3392  1.0
  Zr  Zr3  4  0.0000  0.2658  0.8158  1.0
  Tl  Tl4  8  0.1723  0.0957  0.8601  1.0
  Tl  Tl5  4  0.0000  0.4044  0.3496  1.0
  O  O6  4  0.0000  0.1940  0.4771  1.0
]