data_[Tl2Se2O1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4984]
_cell_length_b [6.9723]
_cell_length_c [17.9210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [102.2767]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl2Se2O]
_chemical_formula_sum '[Tl2 Se2 O1]'
_cell_volume [549.2262]
_cell_formula_units_Z [1]
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
[
  Tl  Tl0  1  0.6354  0.0032  0.5904  1
  Tl  Tl1  1  0.7861  0.4933  0.4977  1
  Se  Se2  1  0.1655  0.1183  0.4759  1
  Se  Se3  1  0.2648  0.8195  0.4274  1
  O  O4  1  0.4096  0.7147  0.5086  1
]