data_[Cs4Mn2Au2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mn  1.5500  1.4000  0.6483
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.0607]
_cell_length_b [8.0607]
_cell_length_c [11.0549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cs2MnAuBr6]
_chemical_formula_sum '[Cs4 Mn2 Au2 Br12]'
_cell_volume [718.2824]
_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  0.5000  0.2500  1.0
  Mn  Mn1  2  0.0000  0.0000  0.5000  1.0
  Au  Au2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.2147  0.2147  0.5000  1.0
  Br  Br4  4  0.0000  0.0000  0.2232  1.0
]