data_[Ho24B3Se12S9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  B  2.0400  0.8500  0.4100
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8752]
_cell_length_b [7.8752]
_cell_length_c [19.7807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ho8BSe4S3]
_chemical_formula_sum '[Ho24 B3 Se12 S9]'
_cell_volume [1062.4225]
_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  18  0.0211  0.5106  0.2397  1.0
  Ho  Ho1  6  0.0000  0.0000  0.2428  1.0
  B  B2  3  -0.0000  -0.0000  0.5000  1.0
  Se  Se3  9  0.0000  0.5000  0.0000  1.0
  Se  Se4  3  0.0000  0.0000  0.0000  1.0
  S  S5  9  0.0000  0.5000  0.5000  1.0
]