data_[Nd6Si9Ir3Pt36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1826]
_cell_length_b [8.1826]
_cell_length_c [18.6483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd2Si3IrPt12]
_chemical_formula_sum '[Nd6 Si9 Ir3 Pt36]'
_cell_volume [1081.3238]
_cell_formula_units_Z [3]
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
[
  Nd  Nd0  6  0.0000  0.0000  0.3866  1
  Si  Si1  9  0.0000  0.5000  0.5000  1
  Ir  Ir2  3  0.0000  0.0000  0.0000  1
  Pt  Pt3  18  0.0056  0.5028  0.3750  1
  Pt  Pt4  18  0.0279  0.5140  0.8691  1
]