data_[Hf12Ga6C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7423]
_cell_length_b [7.2368]
_cell_length_c [10.4932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf6Ga3C]
_chemical_formula_sum '[Hf12 Ga6 C2]'
_cell_volume [377.2043]
_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  0.0790  0.0488  0.2317  1
  Hf  Hf1  4  0.1761  0.7117  0.0568  1
  Hf  Hf2  4  0.3893  0.1508  0.0494  1
  Ga  Ga3  4  0.3319  0.1123  0.7398  1
  Ga  Ga4  2  0.5000  0.0000  0.5000  1
  C  C5  2  0.0000  0.0000  0.0000  1
]