data_[Hf3Zr1Cd2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Cd  1.6900  1.5500  1.0900
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3003]
_cell_length_b [3.3003]
_cell_length_c [15.2034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Hf3Zr(CdC)2]
_chemical_formula_sum '[Hf3 Zr1 Cd2 C2]'
_cell_volume [143.4090]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4194  1
  Hf  Hf1  1  0.3333  0.6667  0.5817  1
  Hf  Hf2  1  0.3333  0.6667  0.9176  1
  Zr  Zr3  1  0.0000  0.0000  0.0820  1
  Cd  Cd4  1  0.0000  0.0000  0.7496  1
  Cd  Cd5  1  0.3333  0.6667  0.2522  1
  C  C6  1  0.6667  0.3333  0.5004  1
  C  C7  1  0.6667  0.3333  0.9971  1
]