data_[Ho10Al2S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2567]
_cell_length_b [3.8726]
_cell_length_c [9.8576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9695]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho5AlS4]
_chemical_formula_sum '[Ho10 Al2 S8]'
_cell_volume [438.4036]
_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  0.1081  0.5000  0.8963  1
  Ho  Ho1  4  0.1992  0.0000  0.3051  1
  Ho  Ho2  2  0.0000  0.0000  0.5000  1
  Al  Al3  2  0.0000  0.0000  0.0000  1
  S  S4  4  0.0994  0.5000  0.4044  1
  S  S5  4  0.1993  0.0000  0.7904  1
]