data_[Sr2Au2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5912]
_cell_length_b [9.8893]
_cell_length_c [8.4612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5148]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrAuBr4]
_chemical_formula_sum '[Sr2 Au2 Br8]'
_cell_volume [443.6282]
_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  2  0.4373  0.2500  0.3837  1
  Au  Au1  2  0.2735  0.7500  0.0548  1
  Br  Br2  4  0.3936  0.5663  0.3045  1
  Br  Br3  2  0.1217  0.7500  0.7387  1
  Br  Br4  2  0.2358  0.2500  0.9652  1
]