data_[Ti8Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.9833]
_cell_length_b [5.3414]
_cell_length_c [9.6514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [TiPd]
_chemical_formula_sum '[Ti8 Pd8]'
_cell_volume [256.8995]
_cell_formula_units_Z [8]
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  4  0.0585  0.3147  0.7257  1.0
  Ti  Ti1  4  0.2058  0.1131  0.0412  1.0
  Pd  Pd2  4  0.0375  0.9948  0.3018  1.0
  Pd  Pd3  4  0.2404  0.6058  0.9606  1.0
]