data_[Ba4Sn2Bi2Pd12]
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
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0534]
_cell_length_b [5.8045]
_cell_length_c [9.0379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.3970]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2SnBiPd6]
_chemical_formula_sum '[Ba4 Sn2 Bi2 Pd12]'
_cell_volume [505.7042]
_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  4  0.2475  0.0000  0.2847  1.0
  Sn  Sn1  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi2  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd3  8  0.0227  0.2533  0.7760  1.0
  Pd  Pd4  4  0.2472  0.5000  0.0974  1.0
]