data_[Li3Nd6B9Pt36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9779]
_cell_length_b [7.9779]
_cell_length_c [16.9576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiNd2(BPt4)3]
_chemical_formula_sum '[Li3 Nd6 B9 Pt36]'
_cell_volume [934.6954]
_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
[
  Li  Li0  3  0.0000  0.0000  0.0000  1
  Nd  Nd1  6  0.0000  0.0000  0.3900  1
  B  B2  9  0.0000  0.5000  0.5000  1
  Pt  Pt3  18  0.0072  0.5036  0.6230  1
  Pt  Pt4  18  0.0573  0.5287  0.8534  1
]