data_[Y12Ir4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [14.8306]
_cell_length_b [4.4657]
_cell_length_c [8.5057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1826]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3IrPb]
_chemical_formula_sum '[Y12 Ir4 Pb4]'
_cell_volume [563.2024]
_cell_formula_units_Z [4]
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
[
  Y  Y0  4  0.0514  0.0000  0.2931  1.0
  Y  Y1  4  0.1150  0.5000  0.9473  1.0
  Y  Y2  4  0.2453  0.0000  0.7166  1.0
  Ir  Ir3  4  0.1971  0.0000  0.0894  1.0
  Pb  Pb4  4  0.1029  0.5000  0.5661  1.0
]