data_[Ho12Au4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.8105]
_cell_length_b [3.8065]
_cell_length_c [14.7150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ho3AuS]
_chemical_formula_sum '[Ho12 Au4 S4]'
_cell_volume [493.4993]
_cell_formula_units_Z [4]
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  0.0131  0.2500  0.8910  1
  Ho  Ho1  4  0.1590  0.2500  0.4519  1
  Ho  Ho2  4  0.1815  0.7500  0.7113  1
  Au  Au3  4  0.0913  0.7500  0.3056  1
  S  S4  4  0.1806  0.2500  0.0462  1
]