data_[Ti6Pd14]
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 [C2/m]
_cell_length_a [14.3036]
_cell_length_b [3.9493]
_cell_length_c [5.5706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4699]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti3Pd7]
_chemical_formula_sum '[Ti6 Pd14]'
_cell_volume [307.2565]
_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  4  0.1936  0.0000  0.6249  1.0
  Ti  Ti1  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd2  4  0.0960  0.5000  0.8088  1.0
  Pd  Pd3  4  0.1050  0.5000  0.3153  1.0
  Pd  Pd4  4  0.2017  0.0000  0.1213  1.0
  Pd  Pd5  2  0.0000  0.0000  0.5000  1.0
]