data_[Ba8Li1Ir1Pd2]
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
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5961]
_cell_length_b [9.5165]
_cell_length_c [7.7947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8806]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba8LiIrPd2]
_chemical_formula_sum '[Ba8 Li1 Ir1 Pd2]'
_cell_volume [563.4029]
_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  0.2391  0.2236  0.1728  1.0
  Ba  Ba1  2  0.2539  0.0000  0.6835  1.0
  Ba  Ba2  2  0.2841  0.5000  0.6469  1.0
  Li  Li3  1  0.0000  0.5000  0.0000  1.0
  Pd  Pd4  2  0.5000  0.2420  0.5000  1.0
  Ir  Ir5  1  0.0000  0.0000  0.0000  1.0
]