data_[Ti3Sb4Pd4]
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 [Pm]
_cell_length_a [6.6072]
_cell_length_b [4.1308]
_cell_length_c [7.8735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4457]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ti3(SbPd)4]
_chemical_formula_sum '[Ti3 Sb4 Pd4]'
_cell_volume [214.8862]
_cell_formula_units_Z [1]
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  1  0.4553  0.5000  0.2982  1
  Ti  Ti1  1  0.5424  0.0000  0.7033  1
  Ti  Ti2  1  0.9670  0.5000  0.2044  1
  Sb  Sb3  1  0.2183  0.0000  0.0992  1
  Sb  Sb4  1  0.2643  0.5000  0.6194  1
  Sb  Sb5  1  0.7345  0.0000  0.3845  1
  Sb  Sb6  1  0.7942  0.5000  0.8894  1
  Pd  Pd7  1  0.1516  0.0000  0.4318  1
  Pd  Pd8  1  0.3805  0.5000  0.9393  1
  Pd  Pd9  1  0.6334  0.0000  0.0627  1
  Pd  Pd10  1  0.8566  0.5000  0.5651  1
]