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 [P2_1/c]
_cell_length_a [8.1403]
_cell_length_b [7.1924]
_cell_length_c [10.8706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Y3IrPb]
_chemical_formula_sum '[Y12 Ir4 Pb4]'
_cell_volume [570.6858]
_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  0.0564  0.6472  0.2253  1.0
  Y  Y1  4  0.2461  0.0033  0.0750  1.0
  Y  Y2  4  0.3254  0.0004  0.5645  1.0
  Ir  Ir3  4  0.0015  0.7021  0.9475  1.0
  Pb  Pb4  4  0.3537  0.1994  0.8388  1.0
]