data_[Ba2Ag1As4Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.6945]
_cell_length_b [4.6945]
_cell_length_c [10.8416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ba2AgAs4Au3]
_chemical_formula_sum '[Ba2 Ag1 As4 Au3]'
_cell_volume [238.9336]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.7494  1.0
  Ag  Ag1  1  0.5000  0.5000  0.5000  1.0
  As  As2  2  0.0000  0.5000  0.3665  1.0
  As  As3  1  0.0000  0.0000  0.0000  1.0
  As  As4  1  0.5000  0.5000  0.0000  1.0
  Au  Au5  2  0.0000  0.5000  0.1227  1.0
  Au  Au6  1  0.0000  0.0000  0.5000  1.0
]