data_[Ba4Sn8As4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6520]
_cell_length_b [15.0994]
_cell_length_c [8.5236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaSn2AsAu]
_chemical_formula_sum '[Ba4 Sn8 As4 Au4]'
_cell_volume [598.7113]
_cell_formula_units_Z [4]
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  4  0.0000  0.4365  0.7500  1.0
  Sn  Sn1  8  0.0000  0.1781  0.5616  1.0
  As  As2  4  0.0000  0.0000  0.0000  1.0
  Au  Au3  4  0.0000  0.2708  0.2500  1.0
]