data_[Dy6Hf3Mn3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Hf  1.3000  1.5500  0.8500
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.6545]
_cell_length_b [6.6545]
_cell_length_c [17.7962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Dy2HfMnS6]
_chemical_formula_sum '[Dy6 Hf3 Mn3 S18]'
_cell_volume [682.4812]
_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
[
  Dy  Dy0  3  0.0000  0.0000  0.4823  1.0
  Dy  Dy1  3  0.0000  0.0000  0.9785  1.0
  Hf  Hf2  3  0.0000  0.0000  0.1780  1.0
  Mn  Mn3  3  0.0000  0.0000  0.6844  1.0
  S  S4  9  0.0454  0.3523  0.7522  1.0
  S  S5  9  0.0471  0.7054  0.2528  1.0
]