data_[La24Tl8Ga8]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [10.5502]
_cell_length_b [12.0594]
_cell_length_c [9.7856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [La3TlGa]
_chemical_formula_sum '[La24 Tl8 Ga8]'
_cell_volume [1245.0066]
_cell_formula_units_Z [8]
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  16  0.1789  0.3731  0.4270  1.0
  La  La1  8  0.0000  0.0715  0.3470  1.0
  Tl  Tl2  8  0.0000  0.2066  0.6419  1.0
  Ga  Ga3  8  0.2500  0.1548  0.2500  1.0
]