data_[Li4La4Tl8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [Cmcm]
_cell_length_a [3.5520]
_cell_length_b [12.0480]
_cell_length_c [11.7711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiLaTl2O4]
_chemical_formula_sum '[Li4 La4 Tl8 O16]'
_cell_volume [503.7386]
_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
[
  Li  Li0  4  0.0000  0.2009  0.2500  1
  La  La1  4  0.0000  0.0769  0.7500  1
  Tl  Tl2  8  0.0000  0.3702  0.5445  1
  O  O3  8  0.0000  0.3307  0.1449  1
  O  O4  4  0.0000  0.0000  0.0000  1
  O  O5  4  0.0000  0.4019  0.7500  1
]