data_[Cs4Sm2Au2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sm  1.1700  1.8500  1.2290
  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 [8.6342]
_cell_length_b [8.6342]
_cell_length_c [10.7435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cs2SmAuBr6]
_chemical_formula_sum '[Cs4 Sm2 Au2 Br12]'
_cell_volume [800.9217]
_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
  Sm  Sm1  2  0.0000  0.0000  0.0000  1.0
  Au  Au2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  8  0.2317  0.2317  0.0000  1.0
  Br  Br4  4  0.0000  0.0000  0.2681  1.0
]