data_[Ho8Br12O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7141]
_cell_length_b [3.9198]
_cell_length_c [11.5333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.1904]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Br3O]
_chemical_formula_sum '[Ho8 Br12 O4]'
_cell_volume [682.7998]
_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  0.0678  0.5000  0.4600  1
  Ho  Ho1  4  0.1319  0.0000  0.7777  1
  Br  Br2  4  0.0303  0.0000  0.2416  1
  Br  Br3  4  0.1724  0.5000  0.0092  1
  Br  Br4  4  0.2107  0.0000  0.6184  1
  O  O5  4  0.0811  0.5000  0.6669  1
]