data_[In2Fe2Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Fe  1.8300  1.4000  0.8525
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.7750]
_cell_length_b [8.6172]
_cell_length_c [4.7564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InFePd4]
_chemical_formula_sum '[In2 Fe2 Pd8]'
_cell_volume [188.4863]
_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
[
  In  In0  2  0.0000  0.0000  0.0000  1
  Fe  Fe1  2  0.0000  0.5000  0.5000  1
  Pd  Pd2  4  0.0000  0.1654  0.5000  1
  Pd  Pd3  4  0.0000  0.3392  0.0000  1
]