data_[Ho12In4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.6793]
_cell_length_b [13.3654]
_cell_length_c [6.5871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ho3InS6]
_chemical_formula_sum '[Ho12 In4 S24]'
_cell_volume [940.2027]
_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  0.1866  0.0984  0.9827  1.0
  Ho  Ho1  4  0.0000  0.4047  0.8938  1.0
  In  In2  4  0.0000  0.2018  0.5075  1.0
  S  S3  8  0.1626  0.4688  0.1863  1.0
  S  S4  8  0.1731  0.2727  0.7147  1.0
  S  S5  4  0.0000  0.0328  0.6787  1.0
  S  S6  4  0.0000  0.2199  0.1378  1.0
]