data_[Cs4Ho2H2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ho  1.2300  1.7500  1.0410
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.8485]
_cell_length_b [8.8485]
_cell_length_c [9.2146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cs2HoHBr6]
_chemical_formula_sum '[Cs4 Ho2 H2 Br12]'
_cell_volume [721.4619]
_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
[
  Cs  Cs0  4  0.0000  0.5000  0.2500  1
  Ho  Ho1  2  0.0000  0.0000  0.0000  1
  H  H2  2  0.0000  0.0000  0.5000  1
  Br  Br3  8  0.2198  0.2198  0.0000  1
  Br  Br4  4  0.0000  0.0000  0.3148  1
]