data_[Ho12As4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.5416]
_cell_length_b [13.1955]
_cell_length_c [6.6430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ho3AsS6]
_chemical_formula_sum '[Ho12 As4 S24]'
_cell_volume [924.0566]
_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  0.1830  0.1002  0.0162  1.0
  Ho  Ho1  4  0.0000  0.4028  0.1093  1.0
  As  As2  4  0.0000  0.1786  0.4931  1.0
  S  S3  8  0.1608  0.2607  0.3165  1.0
  S  S4  8  0.1646  0.4717  0.8147  1.0
  S  S5  4  0.0000  0.0140  0.2555  1.0
  S  S6  4  0.0000  0.2316  0.8619  1.0
]