data_[Dy6Ho18S36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ho  1.2300  1.7500  1.0410
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.4292]
_cell_length_b [11.4292]
_cell_length_c [13.6076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Dy(HoS2)3]
_chemical_formula_sum '[Dy6 Ho18 S36]'
_cell_volume [1539.3628]
_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  3  0.0000  0.0000  0.0000  1.0
  Dy  Dy1  3  0.0000  0.0000  0.5000  1.0
  Ho  Ho2  18  0.0497  0.2702  0.7031  1.0
  S  S3  18  0.0203  0.2144  0.8979  1.0
  S  S4  18  0.0312  0.1934  0.3732  1.0
]