data_[Ti2Zn12Pd2]
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 [Amm2]
_cell_length_a [4.3043]
_cell_length_b [5.9388]
_cell_length_c [9.3389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TiZn6Pd]
_chemical_formula_sum '[Ti2 Zn12 Pd2]'
_cell_volume [238.7234]
_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  2  0.0000  0.0000  0.8933  1.0
  Zn  Zn1  4  0.0000  0.2269  0.1587  1.0
  Zn  Zn2  4  0.5000  0.2324  0.3432  1.0
  Zn  Zn3  2  0.0000  0.0000  0.4206  1.0
  Zn  Zn4  2  0.5000  0.0000  0.0749  1.0
  Pd  Pd5  2  0.5000  0.0000  0.6077  1.0
]