data_[Ba4Tl2Bi2O12]
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
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2134]
_cell_length_b [6.1735]
_cell_length_c [10.6955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3245]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2TlBiO6]
_chemical_formula_sum '[Ba4 Tl2 Bi2 O12]'
_cell_volume [334.7291]
_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  0.2443  0.5232  0.7501  1.0
  Tl  Tl1  2  0.5000  0.0000  0.0000  1.0
  Bi  Bi2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1753  0.7306  0.4608  1.0
  O  O4  4  0.2307  0.2172  0.4624  1.0
  O  O5  4  0.3123  0.5150  0.2424  1.0
]