data_[Ho8S4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.2048]
_cell_length_b [6.3023]
_cell_length_c [6.8091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8703]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ho2SCl4]
_chemical_formula_sum '[Ho8 S4 Cl16]'
_cell_volume [646.3360]
_cell_formula_units_Z [4]
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  8  0.1076  0.2052  0.0771  1
  S  S1  4  0.0000  0.0619  0.7500  1
  Cl  Cl2  8  0.0906  0.4023  0.4212  1
  Cl  Cl3  8  0.2178  0.0806  0.8197  1
]