data_[Hf8Ge4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ge  2.0100  1.2500  0.7700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.9509]
_cell_length_b [10.5777]
_cell_length_c [3.5252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Hf4Ge2C]
_chemical_formula_sum '[Hf8 Ge4 C2]'
_cell_volume [259.1918]
_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  0.1247  0.6929  0.0000  1
  Hf  Hf1  4  0.2000  0.4403  0.5000  1
  Ge  Ge2  4  0.0765  0.1625  0.5000  1
  C  C3  2  0.0000  0.5000  0.0000  1
]