data_[Sr16Ir2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [20.1806]
_cell_length_b [5.7414]
_cell_length_c [7.6295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5548]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8IrPb2]
_chemical_formula_sum '[Sr16 Ir2 Pb4]'
_cell_volume [842.8208]
_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
[
  Sr  Sr0  4  0.0233  0.0000  0.7997  1
  Sr  Sr1  4  0.0918  0.5000  0.4072  1
  Sr  Sr2  4  0.1443  0.5000  0.9434  1
  Sr  Sr3  4  0.2094  0.0000  0.2881  1
  Ir  Ir4  2  0.0000  0.5000  0.0000  1
  Pb  Pb5  4  0.1850  0.0000  0.7133  1
]