data_[Hf8Ti16Sn12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  Sn  1.9600  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7088]
_cell_length_b [5.6019]
_cell_length_c [14.3764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0151]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf2Ti4(SnC)3]
_chemical_formula_sum '[Hf8 Ti16 Sn12 C12]'
_cell_volume [761.8098]
_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  0.0542  0.4168  0.9129  1
  Ti  Ti1  8  0.1098  0.0833  0.0795  1
  Ti  Ti2  8  0.2235  0.0832  0.4205  1
  Sn  Sn3  8  0.1763  0.4072  0.2503  1
  Sn  Sn4  4  0.0000  0.0644  0.7500  1
  C  C5  8  0.0848  0.2458  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]