data_[Nd16Ru8Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ru  2.2000  1.3000  0.6610
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.9908]
_cell_length_b [13.2639]
_cell_length_c [6.9228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3901]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Nd4Ru2Pt]
_chemical_formula_sum '[Nd16 Ru8 Pt4]'
_cell_volume [697.1164]
_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
[
  Nd  Nd0  4  0.0378  0.3070  0.1236  1.0
  Nd  Nd1  4  0.2090  0.3071  0.7480  1.0
  Nd  Nd2  4  0.3396  0.9682  0.3621  1.0
  Nd  Nd3  4  0.4411  0.4268  0.3334  1.0
  Ru  Ru4  4  0.1535  0.4959  0.3854  1.0
  Ru  Ru5  4  0.3318  0.1795  0.1526  1.0
  Pt  Pt6  4  0.1139  0.1263  0.3951  1.0
]