data_[Ba4Cu2Sn8Pd2]
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
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.7196]
_cell_length_b [4.8743]
_cell_length_c [19.7488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ba2CuSn4Pd]
_chemical_formula_sum '[Ba4 Cu2 Sn8 Pd2]'
_cell_volume [454.3154]
_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  0.6079  1
  Ba  Ba1  2  0.5000  0.0000  0.3897  1
  Cu  Cu2  2  0.0000  0.0000  0.8219  1
  Sn  Sn3  2  0.0000  0.0000  0.2508  1
  Sn  Sn4  2  0.0000  0.0000  0.9561  1
  Sn  Sn5  2  0.5000  0.0000  0.0419  1
  Sn  Sn6  2  0.5000  0.0000  0.7513  1
  Pd  Pd7  2  0.5000  0.0000  0.1803  1
]