data_[Ho12Ag3Bi3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ag  1.9300  1.6000  1.0867
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.0158]
_cell_length_b [8.0158]
_cell_length_c [19.9177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ho4AgBiS8]
_chemical_formula_sum '[Ho12 Ag3 Bi3 S24]'
_cell_volume [1108.3117]
_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  9  0.1708  0.3416  0.8328  1.0
  Ho  Ho1  3  0.0000  0.0000  0.6259  1.0
  Ag  Ag2  3  0.0000  0.0000  0.3696  1.0
  Bi  Bi3  3  0.0000  0.0000  0.0088  1.0
  S  S4  9  0.0142  0.5071  0.7554  1.0
  S  S5  9  0.1743  0.3486  0.5775  1.0
  S  S6  3  0.0000  0.0000  0.2402  1.0
  S  S7  3  0.0000  0.0000  0.7585  1.0
]