data_[Li2In6Pb12]
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 [Pnnm]
_cell_length_a [10.2336]
_cell_length_b [12.0729]
_cell_length_c [4.8077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Li(InPb2)3]
_chemical_formula_sum '[Li2 In6 Pb12]'
_cell_volume [593.9859]
_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  0.0000  0.0000  0.0000  1.0
  In  In1  4  0.1438  0.3478  0.5000  1.0
  In  In2  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb3  4  0.0438  0.7670  0.0000  1.0
  Pb  Pb4  4  0.1639  0.9549  0.5000  1.0
  Pb  Pb5  4  0.2219  0.6443  0.5000  1.0
]