data_[Ba2Si4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.6509]
_cell_length_b [7.0408]
_cell_length_c [6.2411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0073]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba(SiPd)2]
_chemical_formula_sum '[Ba2 Si4 Pd4]'
_cell_volume [230.2193]
_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  0.0000  0.0000  0.0000  1.0
  Si  Si1  4  0.1270  0.5000  0.3610  1.0
  Pd  Pd2  4  0.0000  0.2037  0.5000  1.0
]