data_[Nd6Mg6Pt45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.3011]
_cell_length_b [9.3011]
_cell_length_c [13.6504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd2Mg2Pt15]
_chemical_formula_sum '[Nd6 Mg6 Pt45]'
_cell_volume [1022.6956]
_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  0.3506  1.0
  Mg  Mg1  6  0.0000  0.0000  0.1013  1.0
  Pt  Pt2  18  0.0000  0.3106  0.0000  1.0
  Pt  Pt3  18  0.0006  0.5003  0.1568  1.0
  Pt  Pt4  9  0.0000  0.5000  0.5000  1.0
]