data_[In4B2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [5.8210]
_cell_length_b [5.8210]
_cell_length_c [9.5804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [In2BPd6]
_chemical_formula_sum '[In4 B2 Pd12]'
_cell_volume [281.1330]
_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
[
  In  In0  2  0.0000  0.0000  0.1293  1
  In  In1  2  0.3333  0.6667  0.8741  1
  B  B2  2  0.3333  0.6667  0.2491  1
  Pd  Pd3  6  0.0051  0.5025  0.6216  1
  Pd  Pd4  6  0.1652  0.8348  0.3776  1
]