data_[Dy18Bi6S36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.5445]
_cell_length_b [11.5445]
_cell_length_c [13.8312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Dy3BiS6]
_chemical_formula_sum '[Dy18 Bi6 S36]'
_cell_volume [1596.3941]
_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
[
  Dy  Dy0  18  0.0480  0.7793  0.7056  1.0
  Bi  Bi1  3  0.0000  0.0000  0.0000  1.0
  Bi  Bi2  3  0.0000  0.0000  0.5000  1.0
  S  S3  18  0.0194  0.7996  0.8993  1.0
  S  S4  18  0.0308  0.8385  0.3675  1.0
]