data_[Ho8S8Br4]
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 [C2/m]
_cell_length_a [12.4101]
_cell_length_b [5.4039]
_cell_length_c [8.1104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0865]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2S2Br]
_chemical_formula_sum '[Ho8 S8 Br4]'
_cell_volume [517.0315]
_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  4  0.0046  0.5000  0.7354  1.0
  Ho  Ho1  4  0.1615  0.0000  0.5690  1.0
  S  S2  4  0.0034  0.0000  0.7397  1.0
  S  S3  4  0.1650  0.5000  0.5757  1.0
  Br  Br4  4  0.1642  0.5000  0.0867  1.0
]