# generated using pymatgen
data_Ti2CO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34413149
_cell_length_b   5.34413174
_cell_length_c   5.34413190
_cell_angle_alpha   32.92390982
_cell_angle_beta   32.92390796
_cell_angle_gamma   32.92390372
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CO
_chemical_formula_sum   'Ti2 C1 O1'
_cell_volume   40.12033634
_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  1  0.74255153  0.74255153  0.74255153  1.0
  Ti  Ti1  1  0.25744695  0.25744695  0.25744695  1.0
  C  C2  1  0.99999717  0.99999717  0.99999717  1.0
  O  O3  1  0.50000235  0.50000235  0.50000235  1.0