data_[Ba24Li4Tl10]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3878]
_cell_length_b [8.7160]
_cell_length_c [11.9508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9927]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba12Li2Tl5]
_chemical_formula_sum '[Ba24 Li4 Tl10]'
_cell_volume [1896.7428]
_cell_formula_units_Z [2]
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  8  0.1484  0.2557  0.5571  1
  Ba  Ba1  8  0.1927  0.2445  0.1316  1
  Ba  Ba2  4  0.0176  0.5000  0.2922  1
  Ba  Ba3  4  0.0699  0.0000  0.8150  1
  Li  Li4  4  0.0000  0.3386  0.0000  1
  Tl  Tl5  4  0.1450  0.5000  0.8932  1
  Tl  Tl6  4  0.2103  0.5000  0.3543  1
  Tl  Tl7  2  0.0000  0.0000  0.5000  1
]