data_[Hf16Zn4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zn  1.6500  1.3500  0.8800
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3748]
_cell_length_b [11.1812]
_cell_length_c [11.7413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Hf4ZnC2]
_chemical_formula_sum '[Hf16 Zn4 C8]'
_cell_volume [443.0495]
_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  0.2389  0.6074  1.0
  Hf  Hf1  4  0.0000  0.0749  0.2500  1.0
  Hf  Hf2  4  0.0000  0.5000  0.0000  1.0
  Zn  Zn3  4  0.0000  0.3883  0.2500  1.0
  C  C4  8  0.0000  0.1359  0.0593  1.0
]