data_[Ni2As8Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  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 [5.9220]
_cell_length_b [5.9173]
_cell_length_c [5.9181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1575]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NiAs4Pd]
_chemical_formula_sum '[Ni2 As8 Pd2]'
_cell_volume [207.3819]
_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
[
  Ni  Ni0  2  0.5000  0.0000  0.5000  1.0
  As  As1  4  0.1303  0.6134  0.8865  1.0
  As  As2  4  0.3891  0.1259  0.8745  1.0
  Pd  Pd3  2  0.0000  0.0000  0.0000  1.0
]