data_[Li2Ga4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.2048]
_cell_length_b [3.2048]
_cell_length_c [16.8579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [LiGa2Pb]
_chemical_formula_sum '[Li2 Ga4 Pb2]'
_cell_volume [173.1393]
_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  0.9089  1.0
  Ga  Ga1  2  0.0000  0.0000  0.3080  1.0
  Ga  Ga2  2  0.0000  0.0000  0.7089  1.0
  Pb  Pb3  2  0.0000  0.0000  0.5381  1.0
]