data_[Na4Ti4Tl4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ti  1.5400  1.4000  0.8517
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.9252]
_cell_length_b [11.2529]
_cell_length_c [5.5376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2204]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaTiTlO3]
_chemical_formula_sum '[Na4 Ti4 Tl4 O12]'
_cell_volume [368.6447]
_cell_formula_units_Z [4]
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  4  0.0000  0.4239  0.7500  1.0
  Ti  Ti1  4  0.0000  0.0519  0.7500  1.0
  Tl  Tl2  4  0.0000  0.2575  0.2500  1.0
  O  O3  8  0.2125  0.0110  0.4970  1.0
  O  O4  4  0.0000  0.2117  0.7500  1.0
]