data_[Cs6H2Au2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  H  2.2000  0.2500  0.0000
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.5656]
_cell_length_b [5.1463]
_cell_length_c [11.3577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2742]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cs3HAuBr]
_chemical_formula_sum '[Cs6 H2 Au2 Br2]'
_cell_volume [609.4946]
_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  2  0.1020  0.2500  0.8495  1.0
  Cs  Cs1  2  0.1720  0.7500  0.5055  1.0
  Cs  Cs2  2  0.4102  0.7500  0.1595  1.0
  H  H3  2  0.1005  0.2500  0.5992  1.0
  Au  Au4  2  0.1723  0.2500  0.2025  1.0
  Br  Br5  2  0.3510  0.7500  0.8401  1.0
]