data_[Hf6Ga1C1]
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 [P-1]
_cell_length_a [5.7125]
_cell_length_b [5.8237]
_cell_length_c [6.0687]
_cell_angle_alpha [91.5132]
_cell_angle_beta [113.8837]
_cell_angle_gamma [114.8768]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hf6GaC]
_chemical_formula_sum '[Hf6 Ga1 C1]'
_cell_volume [162.7006]
_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  2  0.2011  0.9816  0.7552  1
  Hf  Hf1  2  0.2070  0.7829  0.2291  1
  Hf  Hf2  2  0.4324  0.3720  0.2238  1
  Ga  Ga3  1  0.0000  0.5000  0.5000  1
  C  C4  1  0.0000  0.0000  0.0000  1
]