data_[Li10In6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5563]
_cell_length_b [7.2989]
_cell_length_c [8.2810]
_cell_angle_alpha [80.2427]
_cell_angle_beta [75.2150]
_cell_angle_gamma [71.5352]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li5In3]
_chemical_formula_sum '[Li10 In6]'
_cell_volume [306.5584]
_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
[
  Li  Li0  2  0.0242  0.6432  0.2215  1.0
  Li  Li1  2  0.1012  0.9563  0.6588  1.0
  Li  Li2  2  0.1575  0.2786  0.0948  1.0
  Li  Li3  2  0.2390  0.5935  0.5180  1.0
  Li  Li4  2  0.4735  0.8556  0.2812  1.0
  In  In5  2  0.2843  0.9008  0.9765  1.0
  In  In6  2  0.3135  0.2202  0.4189  1.0
  In  In7  2  0.3969  0.5194  0.8285  1.0
]