data_[Li1In2Pb6]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8598]
_cell_length_b [5.8827]
_cell_length_c [10.4419]
_cell_angle_alpha [105.4471]
_cell_angle_beta [90.0061]
_cell_angle_gamma [112.9321]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li(InPb3)2]
_chemical_formula_sum '[Li1 In2 Pb6]'
_cell_volume [263.1741]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  In  In1  2  0.3398  0.6806  0.2862  1
  Pb  Pb2  2  0.0064  0.0059  0.1765  1
  Pb  Pb3  2  0.3275  0.6607  0.6038  1
  Pb  Pb4  2  0.3338  0.6637  0.9396  1
]