data_[Zr8Si8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3359]
_cell_length_b [3.9570]
_cell_length_c [9.5998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr2Si2Pd]
_chemical_formula_sum '[Zr8 Si8 Pd4]'
_cell_volume [346.0024]
_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  4  0.0110  0.0000  0.6837  1.0
  Zr  Zr1  4  0.1903  0.0000  0.1013  1.0
  Si  Si2  4  0.0238  0.5000  0.8876  1.0
  Si  Si3  4  0.1303  0.5000  0.5680  1.0
  Pd  Pd4  4  0.2185  0.5000  0.3636  1.0
]