data_[Zr2Cu2Pd8]
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 [P2_1/m]
_cell_length_a [5.0369]
_cell_length_b [5.5575]
_cell_length_c [6.9513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrCuPd4]
_chemical_formula_sum '[Zr2 Cu2 Pd8]'
_cell_volume [194.1555]
_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  2  0.2761  0.2500  0.8726  1
  Cu  Cu1  2  0.4583  0.7500  0.5179  1
  Pd  Pd2  4  0.2522  0.5003  0.2137  1
  Pd  Pd3  2  0.0468  0.2500  0.5191  1
  Pd  Pd4  2  0.2479  0.7500  0.8596  1
]