data_[Cs4H1Au2Br1]
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/m]
_cell_length_a [8.8717]
_cell_length_b [5.1145]
_cell_length_c [8.9398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Cs4HAu2Br]
_chemical_formula_sum '[Cs4 H1 Au2 Br1]'
_cell_volume [383.1517]
_cell_formula_units_Z [1]
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  0.2320  0.5000  0.2311  1.0
  Cs  Cs1  2  0.2390  0.0000  0.7623  1.0
  H  H2  1  0.0000  0.0000  0.0000  1.0
  Au  Au3  1  0.0000  0.5000  0.5000  1.0
  Au  Au4  1  0.5000  0.0000  0.5000  1.0
  Br  Br5  1  0.5000  0.5000  0.0000  1.0
]