data_[Zn2As2Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.1910]
_cell_length_b [7.5691]
_cell_length_c [5.0568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3195]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ZnAsPd4]
_chemical_formula_sum '[Zn2 As2 Pd8]'
_cell_volume [187.4979]
_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  0.0000  0.0000  0.0000  1.0
  As  As1  2  0.5000  0.0000  0.5000  1.0
  Pd  Pd2  4  0.1169  0.6621  0.0889  1.0
  Pd  Pd3  4  0.3880  0.1675  0.8790  1.0
]