data_[Ca4Nd2Ir4Pd2Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0955]
_cell_length_b [13.2015]
_cell_length_c [7.8786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ca2NdIr2PdPb3]
_chemical_formula_sum '[Ca4 Nd2 Ir4 Pd2 Pb6]'
_cell_volume [425.9753]
_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
[
  Ca  Ca0  4  0.0000  0.2024  0.7980  1
  Nd  Nd1  2  0.0000  0.0000  0.4108  1
  Ir  Ir2  4  0.5000  0.1580  0.4929  1
  Pd  Pd3  2  0.0000  0.0000  0.0067  1
  Pb  Pb4  4  0.5000  0.1388  0.1286  1
  Pb  Pb5  2  0.5000  0.0000  0.7436  1
]