data_[Zr8Ti8Pd4]
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 [Ibam]
_cell_length_a [5.7813]
_cell_length_b [13.0530]
_cell_length_c [5.2000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Zr2Ti2Pd]
_chemical_formula_sum '[Zr8 Ti8 Pd4]'
_cell_volume [392.4109]
_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
[
  Zr  Zr0  8  0.1426  0.0930  0.5000  1
  Ti  Ti1  8  0.1288  0.3073  0.5000  1
  Pd  Pd2  4  0.0000  0.5000  0.2500  1
]