data_[Ho12Al2Se6S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7530]
_cell_length_b [3.9275]
_cell_length_c [8.2564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6AlSe3S2]
_chemical_formula_sum '[Ho12 Al2 Se6 S4]'
_cell_volume [557.3622]
_cell_formula_units_Z [2]
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  4  0.0042  0.0000  0.2529  1
  Ho  Ho1  4  0.1650  0.5000  0.0943  1
  Ho  Ho2  4  0.1708  0.5000  0.5702  1
  Al  Al3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.1678  0.0000  0.8286  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
  S  S6  4  0.1694  0.0000  0.3364  1
]