data_[Ba2Tl4As4O12]
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
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8297]
_cell_length_b [6.5157]
_cell_length_c [7.5389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6649]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaTl2(AsO3)2]
_chemical_formula_sum '[Ba2 Tl4 As4 O12]'
_cell_volume [447.8319]
_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  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl1  4  0.2077  0.5000  0.1724  1.0
  As  As2  4  0.0272  0.0000  0.1845  1.0
  O  O3  8  0.0585  0.2142  0.7945  1.0
  O  O4  4  0.2127  0.0000  0.3589  1.0
]