data_[Nd6Sm3Y3Se18]
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
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.3973]
_cell_length_b [7.3973]
_cell_length_c [19.7132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Nd2SmYSe6]
_chemical_formula_sum '[Nd6 Sm3 Y3 Se18]'
_cell_volume [934.1887]
_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  0.4808  1.0
  Nd  Nd1  3  0.0000  0.0000  0.9824  1.0
  Sm  Sm2  3  0.0000  0.0000  0.1834  1.0
  Y  Y3  3  0.0000  0.0000  0.6814  1.0
  Se  Se4  9  0.0381  0.3556  0.7514  1.0
  Se  Se5  9  0.0396  0.6755  0.2520  1.0
]