data_[Li2Ir1Pb1Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.9993]
_cell_length_b [7.9288]
_cell_length_c [6.2642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4770]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2IrPbCl8]
_chemical_formula_sum '[Li2 Ir1 Pb1 Cl8]'
_cell_volume [297.0610]
_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  2  0.5000  0.2419  0.5000  1.0
  Ir  Ir1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  1  0.0000  0.5000  0.0000  1.0
  Cl  Cl3  4  0.2115  0.2095  0.8420  1.0
  Cl  Cl4  2  0.2629  0.0000  0.3064  1.0
  Cl  Cl5  2  0.3055  0.5000  0.3425  1.0
]