data_[Hf8Sc16Ga12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9137]
_cell_length_b [5.7218]
_cell_length_c [14.7268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2281]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf2Sc4(GaC)3]
_chemical_formula_sum '[Hf8 Sc16 Ga12 C12]'
_cell_volume [813.1951]
_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  0.0576  0.4144  0.9172  1
  Sc  Sc1  8  0.1136  0.0798  0.0903  1
  Sc  Sc2  8  0.2177  0.0860  0.4097  1
  Ga  Ga3  8  0.1487  0.4349  0.2500  1
  Ga  Ga4  4  0.0000  0.1179  0.7500  1
  C  C5  8  0.0808  0.2576  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]