data_[Ti2Tl4Sn2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.7882]
_cell_length_b [7.8375]
_cell_length_c [5.4249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [TiTl2SnO4]
_chemical_formula_sum '[Ti2 Tl4 Sn2 O8]'
_cell_volume [331.1334]
_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
[
  Ti  Ti0  2  0.0000  0.9151  0.9951  1
  Tl  Tl1  4  0.2223  0.6798  0.5140  1
  Sn  Sn2  2  0.0000  0.1978  0.5257  1
  O  O3  4  0.1928  0.8011  0.0796  1
  O  O4  2  0.0000  0.1336  0.1417  1
  O  O5  2  0.0000  0.9410  0.6502  1
]