data_[Li2Nd4P2Pt12]
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
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.5928]
_cell_length_b [8.7074]
_cell_length_c [7.9939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [LiNd2PPt6]
_chemical_formula_sum '[Li2 Nd4 P2 Pt12]'
_cell_volume [389.2895]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.7174  1.0
  Nd  Nd1  4  0.0000  0.2280  0.2749  1.0
  P  P2  2  0.0000  0.0000  0.7705  1.0
  Pt  Pt3  4  0.0000  0.2498  0.8844  1.0
  Pt  Pt4  4  0.2412  0.5000  0.4554  1.0
  Pt  Pt5  4  0.2435  0.5000  0.9878  1.0
]