data_[Ho24C3S12N9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2552]
_cell_length_b [7.2552]
_cell_length_c [18.7155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ho8CS4N3]
_chemical_formula_sum '[Ho24 C3 S12 N9]'
_cell_volume [853.1564]
_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  0.0007  0.5004  0.7371  1.0
  Ho  Ho1  6  0.0000  0.0000  0.2635  1.0
  C  C2  3  0.0000  0.0000  0.0000  1.0
  S  S3  9  0.0000  0.5000  0.5000  1.0
  S  S4  3  -0.0000  -0.0000  0.5000  1.0
  N  N5  9  0.0000  0.5000  0.0000  1.0
]