data_[La12Tl4O4]
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 [Cm]
_cell_length_a [7.3186]
_cell_length_b [12.2711]
_cell_length_c [7.1295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8201]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [La3TlO]
_chemical_formula_sum '[La12 Tl4 O4]'
_cell_volume [606.0456]
_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
[
  La  La0  4  0.1877  0.2094  0.9827  1
  La  La1  4  0.2482  0.2737  0.5021  1
  La  La2  2  0.4727  0.5000  0.2959  1
  La  La3  2  0.4779  0.0000  0.7939  1
  Tl  Tl4  2  0.4198  0.5000  0.7697  1
  Tl  Tl5  2  0.4468  0.0000  0.2903  1
  O  O6  4  0.4093  0.1870  0.8105  1
]