data_[Ba4In2Sb2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1779]
_cell_length_b [6.9512]
_cell_length_c [7.3628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.4014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2InSbPd6]
_chemical_formula_sum '[Ba4 In2 Sb2 Pd12]'
_cell_volume [508.0351]
_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  0.2224  0.5000  0.1649  1.0
  In  In1  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb2  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd3  8  0.0508  0.2009  0.3519  1.0
  Pd  Pd4  4  0.2484  0.5000  0.6311  1.0
]