data_[Ti6Zn1Pd8]
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 [P-3]
_cell_length_a [7.6133]
_cell_length_b [7.6133]
_cell_length_c [4.8712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Ti6ZnPd8]
_chemical_formula_sum '[Ti6 Zn1 Pd8]'
_cell_volume [244.5223]
_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  6  0.0887  0.6456  0.2890  1
  Zn  Zn1  1  0.0000  0.0000  0.5000  1
  Pd  Pd2  6  0.0312  0.7518  0.8058  1
  Pd  Pd3  2  0.3333  0.6667  0.7300  1
]