data_[Pr3Nd6Y3Se18]
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
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.4394]
_cell_length_b [7.4394]
_cell_length_c [19.7966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [PrNd2YSe6]
_chemical_formula_sum '[Pr3 Nd6 Y3 Se18]'
_cell_volume [948.8432]
_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
[
  Pr  Pr0  3  0.0000  0.0000  0.8143  1.0
  Nd  Nd1  3  0.0000  0.0000  0.0163  1.0
  Nd  Nd2  3  0.0000  0.0000  0.5195  1.0
  Y  Y3  3  0.0000  0.0000  0.3185  1.0
  Se  Se4  9  0.0138  0.3120  0.9160  1.0
  Se  Se5  9  0.0386  0.6673  0.0817  1.0
]