data_[Li2Pr3Nd2Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.5468]
_cell_length_b [4.5468]
_cell_length_c [18.3090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li2Pr3(NdSb2)2]
_chemical_formula_sum '[Li2 Pr3 Nd2 Sb4]'
_cell_volume [327.7934]
_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  2  0.3333  0.6667  0.8794  1.0
  Pr  Pr1  2  0.0000  0.0000  0.2311  1.0
  Pr  Pr2  1  0.0000  0.0000  0.0000  1.0
  Nd  Nd3  2  0.3333  0.6667  0.4217  1.0
  Sb  Sb4  2  0.3333  0.6667  0.1125  1.0
  Sb  Sb5  2  0.3333  0.6667  0.6713  1.0
]