data_[Hf6Zn2C2]
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 [P2_1/m]
_cell_length_a [6.3696]
_cell_length_b [3.3352]
_cell_length_c [8.6667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7024]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf3ZnC]
_chemical_formula_sum '[Hf6 Zn2 C2]'
_cell_volume [175.3952]
_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  2  0.0608  0.7500  0.3692  1.0
  Hf  Hf1  2  0.2888  0.7500  0.9178  1.0
  Hf  Hf2  2  0.4288  0.2500  0.6511  1.0
  Zn  Zn3  2  0.2159  0.2500  0.1583  1.0
  C  C4  2  0.1880  0.7500  0.6432  1.0
]