data_[Ti6Zn8Pd2]
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 [Pmmn]
_cell_length_a [4.3303]
_cell_length_b [8.6714]
_cell_length_c [6.5590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ti3Zn4Pd]
_chemical_formula_sum '[Ti6 Zn8 Pd2]'
_cell_volume [246.2861]
_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  0.0000  0.2506  0.6325  1.0
  Ti  Ti1  2  0.0000  0.5000  0.3733  1.0
  Zn  Zn2  4  0.0000  0.2458  0.1184  1.0
  Zn  Zn3  2  0.0000  0.0000  0.3688  1.0
  Zn  Zn4  2  0.0000  0.0000  0.8939  1.0
  Pd  Pd5  2  0.0000  0.5000  0.8804  1.0
]