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 [P2_1/m]
_cell_length_a [7.7454]
_cell_length_b [3.8769]
_cell_length_c [9.2955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4061]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y3IrPb]
_chemical_formula_sum '[Y6 Ir2 Pb2]'
_cell_volume [274.5396]
_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  0.1852  0.7500  0.0918  1.0
  Y  Y1  2  0.2996  0.7500  0.4758  1.0
  Y  Y2  2  0.3691  0.2500  0.8191  1.0
  Ir  Ir3  2  0.3965  0.2500  0.2731  1.0
  Pb  Pb4  2  0.0280  0.7500  0.7219  1.0
]