data_[Zn2Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.6039]
_cell_length_b [2.8903]
_cell_length_c [6.7545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [ZnPd2]
_chemical_formula_sum '[Zn2 Pd4]'
_cell_volume [88.8734]
_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
[
  Zn  Zn0  2  0.2088  0.5000  0.3186  1
  Pd  Pd1  2  0.2831  0.0000  0.6464  1
  Pd  Pd2  1  0.0000  0.0000  0.0000  1
  Pd  Pd3  1  0.5000  0.5000  0.0000  1
]