data_[Cs4Ho2Au2Br12]
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
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9476]
_cell_length_b [12.7582]
_cell_length_c [7.9741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.3250]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2HoAuBr6]
_chemical_formula_sum '[Cs4 Ho2 Au2 Br12]'
_cell_volume [793.9356]
_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  0.2495  0.5000  1.0
  Ho  Ho1  2  0.0000  0.0000  0.0000  1.0
  Au  Au2  2  0.0000  0.5000  0.0000  1.0
  Br  Br3  4  0.0000  0.2182  0.0000  1.0
  Br  Br4  4  0.1942  0.0000  0.8388  1.0
  Br  Br5  4  0.2252  0.5000  0.5727  1.0
]