data_[Ti2Sb6Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3322]
_cell_length_b [4.4067]
_cell_length_c [10.2561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ti(SbPd2)3]
_chemical_formula_sum '[Ti2 Sb6 Pd12]'
_cell_volume [373.0709]
_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
[
  Ti  Ti0  2  0.3524  0.2500  0.4090  1.0
  Sb  Sb1  2  0.1437  0.2500  0.6754  1.0
  Sb  Sb2  2  0.1455  0.7500  0.9855  1.0
  Sb  Sb3  2  0.4973  0.2500  0.1672  1.0
  Pd  Pd4  2  0.0416  0.2500  0.4161  1.0
  Pd  Pd5  2  0.1661  0.2500  0.1394  1.0
  Pd  Pd6  2  0.1718  0.7500  0.2969  1.0
  Pd  Pd7  2  0.3088  0.7500  0.5556  1.0
  Pd  Pd8  2  0.3368  0.2500  0.9111  1.0
  Pd  Pd9  2  0.4916  0.2500  0.6659  1.0
]