data_[Ti14Sb4H4Pd2]
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
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9318]
_cell_length_b [3.9318]
_cell_length_c [23.6482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ti7Sb2H2Pd]
_chemical_formula_sum '[Ti14 Sb4 H4 Pd2]'
_cell_volume [365.5724]
_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  8  0.0000  0.5000  0.0921  1.0
  Ti  Ti1  4  0.0000  0.0000  0.2972  1.0
  Ti  Ti2  2  0.0000  0.0000  0.5000  1.0
  Sb  Sb3  4  0.0000  0.0000  0.1797  1.0
  H  H4  4  0.0000  0.0000  0.4170  1.0
  Pd  Pd5  2  0.0000  0.0000  0.0000  1.0
]