data_[Nd6Sm3Dy3S18]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.1045]
_cell_length_b [7.1045]
_cell_length_c [18.7560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Nd2SmDyS6]
_chemical_formula_sum '[Nd6 Sm3 Dy3 S18]'
_cell_volume [819.8632]
_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  0.4781  1
  Nd  Nd1  3  0.0000  0.0000  0.9797  1
  Sm  Sm2  3  0.0000  0.0000  0.1859  1
  Dy  Dy3  3  0.0000  0.0000  0.6836  1
  S  S4  9  0.0424  0.3584  0.7515  1
  S  S5  9  0.0443  0.6762  0.2522  1
]