data_[Zn6Pd4]
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 [C2/m]
_cell_length_a [7.8777]
_cell_length_b [4.0140]
_cell_length_c [5.7038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.7816]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn3Pd2]
_chemical_formula_sum '[Zn6 Pd4]'
_cell_volume [146.3163]
_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  4  0.1950  0.0000  0.1055  1.0
  Zn  Zn1  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd2  4  0.0896  0.5000  0.3035  1.0
]