data_[Li2Ir2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8541]
_cell_length_b [3.3340]
_cell_length_c [5.9075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3472]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiIrPb2]
_chemical_formula_sum '[Li2 Ir2 Pb4]'
_cell_volume [171.5530]
_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  0.5000  0.0000  1
  Ir  Ir1  2  0.0000  0.0000  0.5000  1
  Pb  Pb2  4  0.2407  0.5000  0.7348  1
]