data_[Ho1S4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7161]
_cell_length_b [7.9069]
_cell_length_c [8.5317]
_cell_angle_alpha [65.3061]
_cell_angle_beta [74.0018]
_cell_angle_gamma [70.1970]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ho(S2Br3)2]
_chemical_formula_sum '[Ho1 S4 Br6]'
_cell_volume [382.4953]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  S  S1  2  0.2786  0.6118  0.5065  1.0
  S  S2  2  0.4344  0.3421  0.6501  1.0
  Br  Br3  2  0.0257  0.6085  0.1966  1.0
  Br  Br4  2  0.1862  0.0285  0.2425  1.0
  Br  Br5  2  0.3586  0.8984  0.7725  1.0
]