data_[Ho6Sc3Al3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.6114]
_cell_length_b [6.6114]
_cell_length_c [17.3863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ho2ScAlS6]
_chemical_formula_sum '[Ho6 Sc3 Al3 S18]'
_cell_volume [658.1477]
_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
[
  Ho  Ho0  3  0.0000  0.0000  0.0230  1.0
  Ho  Ho1  3  0.0000  0.0000  0.5226  1.0
  Sc  Sc2  3  0.0000  0.0000  0.8192  1.0
  Al  Al3  3  0.0000  0.0000  0.3198  1.0
  S  S4  9  0.0035  0.3811  0.5820  1.0
  S  S5  9  0.0228  0.6311  0.0770  1.0
]