data_[Ba2Sr4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1557]
_cell_length_b [5.0419]
_cell_length_c [12.1545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0790]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba(SrAu)2]
_chemical_formula_sum '[Ba2 Sr4 Au4]'
_cell_volume [372.5053]
_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
[
  Ba  Ba0  2  0.4110  0.2500  0.2149  1.0
  Sr  Sr1  2  0.1081  0.2500  0.8825  1.0
  Sr  Sr2  2  0.2476  0.2500  0.5321  1.0
  Au  Au3  2  0.2201  0.7500  0.3664  1.0
  Au  Au4  2  0.3581  0.7500  0.0194  1.0
]