data_[Ho6Tm3Al3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  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 [6.6796]
_cell_length_b [6.6796]
_cell_length_c [17.7175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ho2TmAlS6]
_chemical_formula_sum '[Ho6 Tm3 Al3 S18]'
_cell_volume [684.5912]
_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  0.0201  1.0
  Ho  Ho1  3  0.0000  0.0000  0.5220  1.0
  Tm  Tm2  3  0.0000  0.0000  0.8172  1.0
  Al  Al3  3  0.0000  0.0000  0.3205  1.0
  S  S4  9  0.0002  0.3734  0.5837  1.0
  S  S5  9  0.0195  0.7217  0.4102  1.0
]