data_[Zr2Ta2Tl2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ta  1.5000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.9660]
_cell_length_b [4.9660]
_cell_length_c [9.8290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [ZrTaTlO6]
_chemical_formula_sum '[Zr2 Ta2 Tl2 O12]'
_cell_volume [242.3978]
_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  0.6685  1
  Ta  Ta1  2  0.0000  0.0000  0.3331  1
  Tl  Tl2  2  0.0000  0.0000  0.9991  1
  O  O3  4  0.1806  0.8194  0.4921  1
  O  O4  4  0.1994  0.8006  0.1867  1
  O  O5  4  0.2142  0.7858  0.8208  1
]