data_[Ba4Li4Tl8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6337]
_cell_length_b [11.7616]
_cell_length_c [11.5843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaLiTl2O4]
_chemical_formula_sum '[Ba4 Li4 Tl8 O16]'
_cell_volume [495.0909]
_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
[
  Ba  Ba0  4  0.0000  0.1042  0.7500  1.0
  Li  Li1  4  0.0000  0.1665  0.2500  1.0
  Tl  Tl2  8  0.0000  0.3685  0.5524  1.0
  O  O3  8  0.0000  0.2701  0.1178  1.0
  O  O4  4  0.0000  0.0000  0.0000  1.0
  O  O5  4  0.0000  0.4180  0.7500  1.0
]