data_[Ti12Ga10C2]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2637]
_cell_length_b [9.8326]
_cell_length_c [5.5041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4943]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti6Ga5C]
_chemical_formula_sum '[Ti12 Ga10 C2]'
_cell_volume [380.5933]
_cell_formula_units_Z [2]
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  8  0.1907  0.1460  0.1895  1
  Ti  Ti1  4  0.1592  0.0000  0.7129  1
  Ga  Ga2  4  0.0000  0.2341  0.5000  1
  Ga  Ga3  4  0.0000  0.3720  0.0000  1
  Ga  Ga4  2  0.0000  0.5000  0.5000  1
  C  C5  2  0.0000  0.0000  0.0000  1
]