data_[Ba4Sn8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.8925]
_cell_length_b [19.7707]
_cell_length_c [4.7599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaSn2Pd]
_chemical_formula_sum '[Ba4 Sn8 Pd4]'
_cell_volume [460.4178]
_cell_formula_units_Z [4]
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  0.0000  0.1095  0.7500  1.0
  Sn  Sn1  4  0.0000  0.2489  0.2500  1.0
  Sn  Sn2  4  0.0000  0.4573  0.7500  1.0
  Pd  Pd3  4  0.0000  0.3206  0.7500  1.0
]