data_[Ti6Zn4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3654]
_cell_length_b [3.2052]
_cell_length_c [6.9325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0798]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti3(ZnPd2)2]
_chemical_formula_sum '[Ti6 Zn4 Pd8]'
_cell_volume [278.9263]
_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  0.1322  0.0000  0.6399  1.0
  Ti  Ti1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.1722  0.5000  0.9986  1.0
  Pd  Pd3  4  0.0161  0.5000  0.3110  1.0
  Pd  Pd4  4  0.2006  0.0000  0.3169  1.0
]