data_[Dy3Tm6Al3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.6637]
_cell_length_b [6.6637]
_cell_length_c [17.8175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [DyTm2AlS6]
_chemical_formula_sum '[Dy3 Tm6 Al3 S18]'
_cell_volume [685.1906]
_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
  Tm  Tm1  3  0.0000  0.0000  0.0170  1.0
  Tm  Tm2  3  0.0000  0.0000  0.5207  1.0
  Al  Al3  3  0.0000  0.0000  0.3211  1.0
  S  S4  9  0.0078  0.7163  0.4110  1.0
  S  S5  9  0.0338  0.3337  0.9181  1.0
]