data_[Ba6In8Pd4]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6619]
_cell_length_b [4.9183]
_cell_length_c [9.7475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3560]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(In2Pd)2]
_chemical_formula_sum '[Ba6 In8 Pd4]'
_cell_volume [569.1149]
_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  0.1121  0.5000  0.3706  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  In  In2  4  0.1016  0.0000  0.6503  1.0
  In  In3  4  0.2075  0.5000  0.0632  1.0
  Pd  Pd4  4  0.1947  0.5000  0.7697  1.0
]