data_[Zr8Ti8Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.6989]
_cell_length_b [5.4805]
_cell_length_c [9.2377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ZrTiPd]
_chemical_formula_sum '[Zr8 Ti8 Pd8]'
_cell_volume [440.3976]
_cell_formula_units_Z [8]
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
[
  Zr  Zr0  4  0.1905  0.0000  0.3392  1.0
  Zr  Zr1  4  0.3135  0.0000  0.6752  1.0
  Ti  Ti2  4  0.0000  0.2419  0.5895  1.0
  Ti  Ti3  2  0.0000  0.0000  0.8270  1.0
  Ti  Ti4  2  0.5000  0.0000  0.1531  1.0
  Pd  Pd5  4  0.2459  0.0000  0.0056  1.0
  Pd  Pd6  4  0.5000  0.2432  0.4005  1.0
]