data_[Li20Tl4In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.4712]
_cell_length_b [8.2638]
_cell_length_c [9.1846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6539]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li5TlIn]
_chemical_formula_sum '[Li20 Tl4 In4]'
_cell_volume [537.2791]
_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  0.1138  0.4195  0.6538  1.0
  Li  Li1  8  0.1759  0.0900  0.5410  1.0
  Li  Li2  4  0.0000  0.0860  0.7500  1.0
  Tl  Tl3  4  0.2500  0.2500  0.0000  1.0
  In  In4  4  0.0000  0.2608  0.2500  1.0
]