data_[Ho2Sb6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.4656]
_cell_length_b [3.8436]
_cell_length_c [11.8642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9686]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho(SbS2)3]
_chemical_formula_sum '[Ho2 Sb6 S12]'
_cell_volume [511.4846]
_cell_formula_units_Z [2]
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  2  0.3154  0.2500  0.9720  1.0
  Sb  Sb1  2  0.0916  0.7500  0.1558  1.0
  Sb  Sb2  2  0.1642  0.2500  0.5837  1.0
  Sb  Sb3  2  0.4732  0.7500  0.7144  1.0
  S  S4  2  0.1186  0.7500  0.4394  1.0
  S  S5  2  0.1239  0.7500  0.9554  1.0
  S  S6  2  0.2417  0.2500  0.1975  1.0
  S  S7  2  0.2872  0.7500  0.7911  1.0
  S  S8  2  0.3811  0.2500  0.5635  1.0
  S  S9  2  0.4616  0.7500  0.1030  1.0
]