data_[Zn2As6Pd12]
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/m]
_cell_length_a [8.9818]
_cell_length_b [3.8404]
_cell_length_c [9.8822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5217]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zn(AsPd2)3]
_chemical_formula_sum '[Zn2 As6 Pd12]'
_cell_volume [335.1432]
_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  0.0493  0.7500  0.7047  1.0
  As  As1  2  0.2152  0.7500  0.0152  1.0
  As  As2  2  0.2907  0.2500  0.4319  1.0
  As  As3  2  0.3910  0.7500  0.8269  1.0
  Pd  Pd4  2  0.0503  0.2500  0.8952  1.0
  Pd  Pd5  2  0.1018  0.7500  0.4447  1.0
  Pd  Pd6  2  0.1957  0.2500  0.1847  1.0
  Pd  Pd7  2  0.2377  0.2500  0.6806  1.0
  Pd  Pd8  2  0.4309  0.7500  0.5744  1.0
  Pd  Pd9  2  0.4382  0.7500  0.2106  1.0
]