data_[Ho3Mo18S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Mo  2.1600  1.4500  0.7750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.1272]
_cell_length_b [9.1272]
_cell_length_c [11.3637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ho(Mo3S4)2]
_chemical_formula_sum '[Ho3 Mo18 S24]'
_cell_volume [819.8365]
_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  0.0000  1.0
  Mo  Mo1  18  0.0190  0.8406  0.4010  1.0
  S  S2  18  0.0035  0.3815  0.7500  1.0
  S  S3  6  0.0000  0.0000  0.2379  1.0
]