data_[Hf16Sn4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sn  1.9600  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4196]
_cell_length_b [11.4525]
_cell_length_c [11.9901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Hf4SnC2]
_chemical_formula_sum '[Hf16 Sn4 C8]'
_cell_volume [469.5646]
_cell_formula_units_Z [4]
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  8  0.0000  0.2421  0.6019  1.0
  Hf  Hf1  4  0.0000  0.0913  0.2500  1.0
  Hf  Hf2  4  0.0000  0.5000  0.0000  1.0
  Sn  Sn3  4  0.0000  0.3925  0.2500  1.0
  C  C4  8  0.0000  0.1345  0.0598  1.0
]