data_[Ba4In2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5662]
_cell_length_b [5.0175]
_cell_length_c [9.6231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0373]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2InAu]
_chemical_formula_sum '[Ba4 In2 Au2]'
_cell_volume [306.1814]
_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  0.2214  0.2500  0.4255  1.0
  Ba  Ba1  2  0.2910  0.7500  0.0669  1.0
  In  In2  2  0.1556  0.2500  0.7763  1.0
  Au  Au3  2  0.3371  0.7500  0.7169  1.0
]