data_NaTlO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   130.76
_cell_angle_beta   130.76
_cell_angle_gamma   72.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlO2
_chemical_formula_sum   'Na2 Tl2 O4'
_cell_volume   113.27
_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
  Na  Na0  1  0.0  0.44  0.37  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.0  0.0  0.74  1.0
  Tl  Tl3  1  0.44  0.0  0.37  1.0
  O  O4  1  0.44  0.0  0.54  1.0
  O  O5  1  0.0  0.0  0.57  1.0
  O  O6  1  0.44  0.0  0.2  1.0
  O  O7  1  0.0  0.0  0.91  1.0

data_NaTlO2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   5.87
_cell_angle_alpha   114.62
_cell_angle_beta   114.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlO2
_chemical_formula_sum   'Na2 Tl2 O4'
_cell_volume   113.27
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Na  Na1  1  0.07  0.44  0.07  1.0
  Tl  Tl2  1  0.26  0.0  0.26  1.0
  Tl  Tl3  1  0.63  0.0  0.07  1.0
  O  O4  1  0.09  0.0  0.09  1.0
  O  O5  1  0.43  0.0  0.43  1.0
  O  O6  1  0.46  0.0  0.9  1.0
  O  O7  1  0.8  0.0  0.24  1.0

Na Na Tl Tl O O O O