data_[Y6Ir2Pb2]
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 [Pmn2_1]
_cell_length_a [3.8196]
_cell_length_b [7.7199]
_cell_length_c [9.4743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Y3IrPb]
_chemical_formula_sum '[Y6 Ir2 Pb2]'
_cell_volume [279.3656]
_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
[
  Y  Y0  2  0.0000  0.2335  0.6890  1.0
  Y  Y1  2  0.0000  0.6023  0.4826  1.0
  Y  Y2  2  0.0000  0.7512  0.8273  1.0
  Ir  Ir3  2  0.0000  0.4856  0.2010  1.0
  Pb  Pb4  2  0.0000  0.0692  0.0515  1.0
]