data_[Dy3Er6Sc3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.7624]
_cell_length_b [6.7624]
_cell_length_c [18.2078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [DyEr2ScS6]
_chemical_formula_sum '[Dy3 Er6 Sc3 S18]'
_cell_volume [721.0845]
_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  0.8157  1.0
  Er  Er1  3  0.0000  0.0000  0.0153  1.0
  Er  Er2  3  0.0000  0.0000  0.5182  1.0
  Sc  Sc3  3  0.0000  0.0000  0.3199  1.0
  S  S4  9  0.0008  0.7048  0.4143  1.0
  S  S5  9  0.0153  0.3659  0.5834  1.0
]