data_[Sr4Nb2Tl2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Nb  1.6000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8424]
_cell_length_b [5.9800]
_cell_length_c [10.1653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1019]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr2NbTlO6]
_chemical_formula_sum '[Sr4 Nb2 Tl2 O12]'
_cell_volume [290.5578]
_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  4  0.2623  0.0455  0.2516  1.0
  Nb  Nb1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1443  0.0315  0.7338  1.0
  O  O4  4  0.2396  0.7240  0.5515  1.0
  O  O5  4  0.3218  0.1912  0.5430  1.0
]