data_[Sr6Tl2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9835]
_cell_length_b [7.3378]
_cell_length_c [7.4619]
_cell_angle_alpha [83.3459]
_cell_angle_beta [78.1568]
_cell_angle_gamma [62.1746]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr3TlO]
_chemical_formula_sum '[Sr6 Tl2 O2]'
_cell_volume [330.8742]
_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
[
  Sr  Sr0  2  0.0800  0.8736  0.7045  1.0
  Sr  Sr1  2  0.3261  0.2544  0.4366  1.0
  Sr  Sr2  2  0.4774  0.7378  0.1472  1.0
  Tl  Tl3  2  0.0204  0.6420  0.1397  1.0
  O  O4  2  0.2878  0.9474  0.4207  1.0
]