data_[Ho8Au2S6]
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 [Cmmm]
_cell_length_a [8.0899]
_cell_length_b [11.2613]
_cell_length_c [3.8736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ho4AuS3]
_chemical_formula_sum '[Ho8 Au2 S6]'
_cell_volume [352.8917]
_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  0.0000  0.2547  0.5000  1
  Ho  Ho1  4  0.2423  0.5000  0.0000  1
  Au  Au2  2  0.0000  0.0000  0.5000  1
  S  S3  4  0.2500  0.2500  0.0000  1
  S  S4  2  0.0000  0.5000  0.5000  1
]