data_[Li3Nd9Pt24]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.4665]
_cell_length_b [5.4665]
_cell_length_c [26.8248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiNd3Pt8]
_chemical_formula_sum '[Li3 Nd9 Pt24]'
_cell_volume [694.1927]
_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  0.1339  1.0
  Nd  Nd1  3  0.0000  0.0000  0.0086  1.0
  Nd  Nd2  3  0.0000  0.0000  0.4932  1.0
  Nd  Nd3  3  0.0000  0.0000  0.6220  1.0
  Pt  Pt4  9  0.0002  0.5001  0.5613  1.0
  Pt  Pt5  9  0.1678  0.3357  0.3951  1.0
  Pt  Pt6  3  0.0000  0.0000  0.3116  1.0
  Pt  Pt7  3  0.0000  0.0000  0.8113  1.0
]