data_[Ba8Li1Pd1Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7203]
_cell_length_b [9.7998]
_cell_length_c [8.0015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5528]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba8LiPdAu2]
_chemical_formula_sum '[Ba8 Li1 Pd1 Au2]'
_cell_volume [605.3424]
_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  4  0.2393  0.2289  0.1710  1
  Ba  Ba1  2  0.2571  0.0000  0.6777  1
  Ba  Ba2  2  0.2710  0.5000  0.6497  1
  Li  Li3  1  0.0000  0.5000  0.0000  1
  Pd  Pd4  1  0.0000  0.0000  0.0000  1
  Au  Au5  2  0.5000  0.2440  0.5000  1
]