data_[Zr4Cu2Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.6516]
_cell_length_b [4.1154]
_cell_length_c [13.9968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Zr2CuPd3]
_chemical_formula_sum '[Zr4 Cu2 Pd6]'
_cell_volume [210.3414]
_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
[
  Zr  Zr0  4  0.0000  0.0000  0.1670  1.0
  Cu  Cu1  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd2  4  0.0000  0.0000  0.3640  1.0
  Pd  Pd3  2  0.0000  0.5000  0.5000  1.0
]