data_[Fe4Sn2Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2415]
_cell_length_b [11.6396]
_cell_length_c [4.5811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5822]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe2SnPd8]
_chemical_formula_sum '[Fe4 Sn2 Pd16]'
_cell_volume [356.5301]
_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  0.0000  0.3107  0.0000  1
  Sn  Sn1  2  0.0000  0.0000  0.5000  1
  Pd  Pd2  8  0.2073  0.1197  0.1094  1
  Pd  Pd3  4  0.0000  0.2261  0.5000  1
  Pd  Pd4  4  0.1094  0.5000  0.3129  1
]