data_[Na3Pr12Nd3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.7873]
_cell_length_b [8.7873]
_cell_length_c [21.4550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaPr4NdSe8]
_chemical_formula_sum '[Na3 Pr12 Nd3 Se24]'
_cell_volume [1434.7346]
_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
[
  Na  Na0  3  0.0000  0.0000  0.6248  1.0
  Pr  Pr1  9  0.0116  0.5058  0.5015  1.0
  Pr  Pr2  3  0.0000  0.0000  0.3753  1.0
  Nd  Nd3  3  0.0000  0.0000  0.9955  1.0
  Se  Se4  9  0.0232  0.5116  0.7522  1.0
  Se  Se5  9  0.1796  0.3591  0.5808  1.0
  Se  Se6  3  0.0000  0.0000  0.2418  1.0
  Se  Se7  3  0.0000  0.0000  0.7592  1.0
]