# generated using pymatgen
data_Ti3C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06660463
_cell_length_b   3.06660463
_cell_length_c   15.11715007
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998555
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3C2
_chemical_formula_sum   'Ti6 C4'
_cell_volume   123.11648095
_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  1  0.66666700  0.33333300  0.34387771  1.0
  Ti  Ti1  1  0.33333300  0.66666700  0.84388220  1.0
  Ti  Ti2  1  0.33333300  0.66666700  0.65612229  1.0
  Ti  Ti3  1  0.66666700  0.33333300  0.15611780  1.0
  Ti  Ti4  1  0.00000000  -0.00000000  0.50000000  1.0
  Ti  Ti5  1  0.00000000  -0.00000000  -0.00000000  1.0
  C  C6  1  0.33333300  0.66666700  0.41410376  1.0
  C  C7  1  0.66666700  0.33333300  0.91409085  1.0
  C  C8  1  0.33333300  0.66666700  0.08590915  1.0
  C  C9  1  0.66666700  0.33333300  0.58589624  1.0