data_[Ti4Ga1Sb1C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
  Sb  2.0500  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.1576]
_cell_length_b [3.1576]
_cell_length_c [13.3459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ti4GaSbC2]
_chemical_formula_sum '[Ti4 Ga1 Sb1 C2]'
_cell_volume [115.2370]
_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
[
  Ti  Ti0  2  0.3333  0.6667  0.1632  1
  Ti  Ti1  2  0.6667  0.3333  0.3310  1
  Ga  Ga2  1  0.6667  0.3333  0.0000  1
  Sb  Sb3  1  0.3333  0.6667  0.5000  1
  C  C4  2  0.0000  0.0000  0.2471  1
]