data_[Cs4Ho4Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [23.0553]
_cell_length_b [5.6653]
_cell_length_c [10.6590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1494]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsHoBr4]
_chemical_formula_sum '[Cs4 Ho4 Br16]'
_cell_volume [1315.1799]
_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
[
  Cs  Cs0  4  0.2382  0.0000  0.2317  1.0
  Ho  Ho1  4  0.0938  0.0000  0.6119  1.0
  Br  Br2  4  0.0197  0.0000  0.3408  1.0
  Br  Br3  4  0.0924  0.5000  0.6111  1.0
  Br  Br4  4  0.1681  0.0000  0.8727  1.0
  Br  Br5  4  0.1962  0.0000  0.5355  1.0
]