data_[Nd18Dy6S36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.8092]
_cell_length_b [11.8092]
_cell_length_c [13.9281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd3DyS6]
_chemical_formula_sum '[Nd18 Dy6 S36]'
_cell_volume [1682.1402]
_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  18  0.0484  0.7784  0.7027  1.0
  Dy  Dy1  3  0.0000  0.0000  0.0000  1.0
  Dy  Dy2  3  0.0000  0.0000  0.5000  1.0
  S  S3  18  0.0226  0.8120  0.9000  1.0
  S  S4  18  0.0310  0.8399  0.3778  1.0
]