data_[Li1Nd8Sm6]
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
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.7827]
_cell_length_b [9.7827]
_cell_length_c [6.1454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Li(Nd4Sm3)2]
_chemical_formula_sum '[Li1 Nd8 Sm6]'
_cell_volume [509.3227]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Nd  Nd1  6  0.0458  0.2608  0.7887  1
  Nd  Nd2  2  0.3333  0.6667  0.7823  1
  Sm  Sm3  6  0.0935  0.4642  0.2873  1
]