data_[Ba12Li4Pd2Rh2]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1089]
_cell_length_b [9.0070]
_cell_length_c [14.6393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Li2PdRh]
_chemical_formula_sum '[Ba12 Li4 Pd2 Rh2]'
_cell_volume [894.1047]
_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  4  0.1487  0.0172  0.7460  1
  Ba  Ba1  4  0.2180  0.6973  0.5431  1
  Ba  Ba2  4  0.3603  0.1855  0.5429  1
  Li  Li3  4  0.3054  0.0905  0.2482  1
  Pd  Pd4  2  0.5000  0.0000  0.0000  1
  Rh  Rh5  2  0.0000  0.0000  0.5000  1
]