data_[Pr18Nd6Se36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [R-3]
_cell_length_a [12.4663]
_cell_length_b [12.4663]
_cell_length_c [14.8231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr3NdSe6]
_chemical_formula_sum '[Pr18 Nd6 Se36]'
_cell_volume [1995.0085]
_cell_formula_units_Z [6]
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
[
  Pr  Pr0  18  0.0505  0.2706  0.7029  1.0
  Nd  Nd1  3  0.0000  0.0000  0.0000  1.0
  Nd  Nd2  3  0.0000  0.0000  0.5000  1.0
  Se  Se3  18  0.0205  0.2136  0.8986  1.0
  Se  Se4  18  0.0323  0.1939  0.3746  1.0
]