data_[Nd6Sm18Se36]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.2783]
_cell_length_b [12.2783]
_cell_length_c [14.6621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd(SmSe2)3]
_chemical_formula_sum '[Nd6 Sm18 Se36]'
_cell_volume [1914.2756]
_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
[
  Nd  Nd0  3  0.0000  0.0000  0.0000  1.0
  Nd  Nd1  3  0.0000  0.0000  0.5000  1.0
  Sm  Sm2  18  0.0512  0.7804  0.7031  1.0
  Se  Se3  18  0.0193  0.8037  0.8975  1.0
  Se  Se4  18  0.0324  0.8375  0.3722  1.0
]