data_[La3Dy6Sc3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Dy  1.2200  1.7500  1.1310
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.9179]
_cell_length_b [6.9179]
_cell_length_c [18.3850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LaDy2ScS6]
_chemical_formula_sum '[La3 Dy6 Sc3 S18]'
_cell_volume [761.9742]
_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
[
  La  La0  3  0.0000  0.0000  0.8074  1
  Dy  Dy1  3  0.0000  0.0000  0.0130  1
  Dy  Dy2  3  0.0000  0.0000  0.5213  1
  Sc  Sc3  3  0.0000  0.0000  0.3204  1
  S  S4  9  0.0120  0.3627  0.5846  1
  S  S5  9  0.0597  0.6905  0.0819  1
]