data_[Cs1Cu1Au1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.2797]
_cell_length_b [6.8543]
_cell_length_c [9.4168]
_cell_angle_alpha [89.1302]
_cell_angle_beta [82.2999]
_cell_angle_gamma [72.2247]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsCuAuBr6]
_chemical_formula_sum '[Cs1 Cu1 Au1 Br6]'
_cell_volume [382.3533]
_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  1  0.9799  0.9750  0.0417  1
  Cu  Cu1  1  0.5499  0.6517  0.3344  1
  Au  Au2  1  0.4692  0.3603  0.6545  1
  Br  Br3  1  0.1711  0.4211  0.8628  1
  Br  Br4  1  0.2830  0.7012  0.5579  1
  Br  Br5  1  0.3939  0.9986  0.2783  1
  Br  Br6  1  0.6597  0.0154  0.7339  1
  Br  Br7  1  0.7309  0.5442  0.0983  1
  Br  Br8  1  0.7625  0.3327  0.4385  1
]