data_[Ho12C6S4Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6244]
_cell_length_b [3.6789]
_cell_length_c [7.6986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6C3S2Cl]
_chemical_formula_sum '[Ho12 C6 S4 Cl2]'
_cell_volume [450.4678]
_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  0.0106  0.0000  0.7169  1.0
  Ho  Ho1  4  0.1594  0.5000  0.6038  1.0
  Ho  Ho2  4  0.1790  0.5000  0.0615  1.0
  C  C3  4  0.1664  0.0000  0.8333  1.0
  C  C4  2  0.0000  0.5000  0.5000  1.0
  S  S5  4  0.1637  0.0000  0.3276  1.0
  Cl  Cl6  2  0.0000  0.5000  0.0000  1.0
]