data_[Ba6Ag2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.4653]
_cell_length_b [4.6389]
_cell_length_c [10.0276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1502]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba3AgPd]
_chemical_formula_sum '[Ba6 Ag2 Pd2]'
_cell_volume [431.9909]
_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  0.0732  0.7500  0.3313  1.0
  Ba  Ba1  2  0.2784  0.7500  0.9749  1.0
  Ba  Ba2  2  0.3870  0.2500  0.6284  1.0
  Ag  Ag3  2  0.3401  0.2500  0.2473  1.0
  Pd  Pd4  2  0.1631  0.7500  0.6586  1.0
]