data_[Sr12Pt4Au2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5941]
_cell_length_b [13.1468]
_cell_length_c [8.4177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5368]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6Pt2AuBr3]
_chemical_formula_sum '[Sr12 Pt4 Au2 Br6]'
_cell_volume [801.3410]
_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
[
  Sr  Sr0  8  0.2443  0.1735  0.2123  1.0
  Sr  Sr1  4  0.2239  0.5000  0.2124  1.0
  Pt  Pt2  4  0.0000  0.3333  0.0000  1.0
  Au  Au3  2  0.0000  0.0000  0.0000  1.0
  Br  Br4  4  0.0000  0.1661  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]