data_[Fe4As2Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9521]
_cell_length_b [4.0658]
_cell_length_c [5.9732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7637]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe2AsPd8]
_chemical_formula_sum '[Fe4 As2 Pd16]'
_cell_volume [330.4618]
_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
[
  Fe  Fe0  4  0.2178  0.0000  0.6544  1
  As  As1  2  0.0000  0.5000  0.0000  1
  Pd  Pd2  4  0.0386  0.0000  0.7518  1
  Pd  Pd3  4  0.0972  0.5000  0.4602  1
  Pd  Pd4  4  0.1596  0.0000  0.2234  1
  Pd  Pd5  4  0.1739  0.5000  0.9254  1
]