data_[Nd3Sm6Dy3Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Dy  1.2200  1.7500  1.1310
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.3680]
_cell_length_b [7.3680]
_cell_length_c [19.7005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NdSm2DySe6]
_chemical_formula_sum '[Nd3 Sm6 Dy3 Se18]'
_cell_volume [926.1936]
_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
[
  Nd  Nd0  3  0.0000  0.0000  0.3147  1.0
  Sm  Sm1  3  0.0000  0.0000  0.0178  1.0
  Sm  Sm2  3  0.0000  0.0000  0.5151  1.0
  Dy  Dy3  3  0.0000  0.0000  0.8183  1.0
  Se  Se4  9  0.0085  0.6985  0.4164  1.0
  Se  Se5  9  0.0381  0.3675  0.5821  1.0
]