# generated using pymatgen
data_Ti4SiC2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03008843
_cell_length_b   3.03008857
_cell_length_c   22.94024391
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998760
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4SiC2O
_chemical_formula_sum   'Ti8 Si2 C4 O2'
_cell_volume   182.40609389
_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  0.00000000  0.00000000  0.33861756  1.0
  Ti  Ti1  1  0.00000000  0.00000000  0.66138244  1.0
  Ti  Ti2  1  0.00000000  0.00000000  0.83861756  1.0
  Ti  Ti3  1  0.00000000  0.00000000  0.16138244  1.0
  Ti  Ti4  1  0.33333300  0.66666700  0.44040734  1.0
  Ti  Ti5  1  0.66666700  0.33333300  0.55959266  1.0
  Ti  Ti6  1  0.66666700  0.33333300  0.94040734  1.0
  Ti  Ti7  1  0.33333300  0.66666700  0.05959266  1.0
  Si  Si8  1  0.33333300  0.66666700  0.25000000  1.0
  Si  Si9  1  0.66666700  0.33333300  0.75000000  1.0
  C  C10  1  0.66666700  0.33333300  0.39033767  1.0
  C  C11  1  0.33333300  0.66666700  0.60966233  1.0
  C  C12  1  0.33333300  0.66666700  0.89033767  1.0
  C  C13  1  0.66666700  0.33333300  0.10966233  1.0
  O  O14  1  0.00000000  0.00000000  0.50000000  1.0
  O  O15  1  0.00000000  0.00000000  0.00000000  1.0