data_[Ba4Tl2W2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1869]
_cell_length_b [6.2194]
_cell_length_c [10.5926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0749]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2TlWO6]
_chemical_formula_sum '[Ba4 Tl2 W2 O12]'
_cell_volume [333.5733]
_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
[
  Ba  Ba0  4  0.2426  0.0313  0.2502  1.0
  Tl  Tl1  2  0.5000  0.0000  0.0000  1.0
  W  W2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1366  0.2496  0.9529  1.0
  O  O4  4  0.2114  0.6897  0.9627  1.0
  O  O5  4  0.2949  0.0245  0.7189  1.0
]