data_[Ti4Zn12Pd8]
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 [Pnma]
_cell_length_a [7.4909]
_cell_length_b [2.7951]
_cell_length_c [17.3757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TiZn3Pd2]
_chemical_formula_sum '[Ti4 Zn12 Pd8]'
_cell_volume [363.8142]
_cell_formula_units_Z [4]
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  0.1518  0.7500  0.8324  1
  Zn  Zn1  4  0.0434  0.7500  0.5796  1
  Zn  Zn2  4  0.0922  0.7500  0.0640  1
  Zn  Zn3  4  0.2147  0.2500  0.1861  1
  Pd  Pd4  4  0.0271  0.7500  0.2902  1
  Pd  Pd5  4  0.2391  0.7500  0.4549  1
]