data_[Hf8Cr16Ga12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cr  1.6600  1.4000  0.9400
  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 [8.9652]
_cell_length_b [5.1958]
_cell_length_c [13.0913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4933]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf2Cr4(GaC)3]
_chemical_formula_sum '[Hf8 Cr16 Ga12 C12]'
_cell_volume [592.9788]
_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  0.0430  0.4185  0.3875  1
  Cr  Cr1  8  0.1086  0.0892  0.5751  1
  Cr  Cr2  8  0.2274  0.0803  0.9248  1
  Ga  Ga3  8  0.2393  0.3460  0.7496  1
  Ga  Ga4  4  0.0000  0.0623  0.7500  1
  C  C5  8  0.0853  0.2445  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]