data_[La48Tl16O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [13.5670]
_cell_length_b [13.5670]
_cell_length_c [13.5670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [La3TlO]
_chemical_formula_sum '[La48 Tl16 O16]'
_cell_volume [2497.1974]
_cell_formula_units_Z [16]
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
[
  La  La0  48  0.0000  0.0000  0.3093  1
  Tl  Tl1  16  0.1250  0.1250  0.1250  1
  O  O2  16  0.1250  0.1250  0.6250  1
]