data_[Ba2Tl4Si2O8]
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
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.6145]
_cell_length_b [8.3610]
_cell_length_c [5.6668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [BaTl2SiO4]
_chemical_formula_sum '[Ba2 Tl4 Si2 O8]'
_cell_volume [360.7774]
_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  0.0969  0.4940  1.0
  Tl  Tl1  4  0.2449  0.6842  0.4949  1.0
  Si  Si2  2  0.0000  0.8920  0.0025  1.0
  O  O3  4  0.1783  0.8349  0.1442  1.0
  O  O4  2  0.0000  0.0939  0.0023  1.0
  O  O5  2  0.0000  0.8307  0.7230  1.0
]