data_[Ho12Bi4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.5743]
_cell_length_b [13.3735]
_cell_length_c [6.8281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ho3BiS6]
_chemical_formula_sum '[Ho12 Bi4 S24]'
_cell_volume [965.6014]
_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  0.1871  0.1014  0.9803  1.0
  Ho  Ho1  4  0.0000  0.4055  0.8884  1.0
  Bi  Bi2  4  0.0000  0.1794  0.4967  1.0
  S  S3  8  0.1654  0.4691  0.1794  1.0
  S  S4  8  0.1727  0.2708  0.7093  1.0
  S  S5  4  0.0000  0.0090  0.7524  1.0
  S  S6  4  0.0000  0.2295  0.1099  1.0
]