data_[Li16Tl4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [10.1234]
_cell_length_b [10.1234]
_cell_length_c [6.8563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [Li4TlBi]
_chemical_formula_sum '[Li16 Tl4 Bi4]'
_cell_volume [702.6550]
_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  8  0.0000  0.2699  0.7538  1
  Li  Li1  8  0.0000  0.2810  0.2425  1
  Tl  Tl2  4  0.0000  0.0000  0.2636  1
  Bi  Bi3  4  0.0000  0.0000  0.7438  1
]