data_[Ba2Cu2Si4Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.4254]
_cell_length_b [4.4254]
_cell_length_c [10.1156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [BaCuSi2Pd]
_chemical_formula_sum '[Ba2 Cu2 Si4 Pd2]'
_cell_volume [198.1041]
_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  0.0000  0.0000  0.3706  1.0
  Cu  Cu2  2  0.0000  0.5000  0.2500  1.0
  Pd  Pd3  2  0.0000  0.5000  0.7500  1.0
]