data_[Hf8Pd4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Pd  2.2000  1.4000  0.8462
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.6100]
_cell_length_b [11.6215]
_cell_length_c [3.4066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Hf4Pd2C]
_chemical_formula_sum '[Hf8 Pd4 C2]'
_cell_volume [261.6859]
_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
[
  Hf  Hf0  4  0.1123  0.6829  0.0000  1
  Hf  Hf1  4  0.2204  0.4542  0.5000  1
  Pd  Pd2  4  0.0715  0.1697  0.5000  1
  C  C3  2  0.0000  0.5000  0.0000  1
]