# generated using pymatgen
data_TiC4NO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.12259610
_cell_length_b   9.12259610
_cell_length_c   10.02268600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiC4NO10
_chemical_formula_sum   'Ti3 C12 N3 O30'
_cell_volume   722.35660335
_cell_formula_units_Z   3
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  0.50000000  0.00000000  0.50000000  1.0
  Ti  Ti1  1  0.00000000  0.50000000  0.16666700  1.0
  Ti  Ti2  1  0.50000000  0.50000000  0.83333300  1.0
  C  C3  1  0.31387800  0.62775700  0.00000000  1.0
  C  C4  1  0.37224300  0.68612200  0.66666700  1.0
  C  C5  1  0.68612200  0.37224300  0.00000000  1.0
  C  C6  1  0.62775700  0.31387800  0.66666700  1.0
  C  C7  1  0.31387800  0.68612200  0.33333300  1.0
  C  C8  1  0.68612200  0.31387800  0.33333300  1.0
  C  C9  1  0.21833700  0.43667400  0.00000000  1.0
  C  C10  1  0.56332600  0.78166300  0.66666700  1.0
  C  C11  1  0.78166300  0.56332600  0.00000000  1.0
  C  C12  1  0.43667400  0.21833700  0.66666700  1.0
  C  C13  1  0.21833700  0.78166300  0.33333300  1.0
  C  C14  1  0.78166300  0.21833700  0.33333300  1.0
  N  N15  1  0.00000000  0.00000000  0.50000000  1.0
  N  N16  1  0.00000000  0.00000000  0.16666700  1.0
  N  N17  1  0.00000000  0.00000000  0.83333300  1.0
  O  O18  1  0.07798000  0.00000000  0.00000000  1.0
  O  O19  1  0.00000000  0.07798000  0.66666700  1.0
  O  O20  1  0.92202000  0.00000000  0.00000000  1.0
  O  O21  1  0.92202000  0.92202000  0.33333300  1.0
  O  O22  1  0.00000000  0.92202000  0.66666700  1.0
  O  O23  1  0.07798000  0.07798000  0.33333300  1.0
  O  O24  1  0.30522300  0.54124000  0.72075400  1.0
  O  O25  1  0.45876000  0.76398300  0.38742100  1.0
  O  O26  1  0.69477700  0.45876000  0.72075400  1.0
  O  O27  1  0.54124000  0.30522300  0.94591300  1.0
  O  O28  1  0.23601700  0.69477700  0.05408700  1.0
  O  O29  1  0.54124000  0.23601700  0.38742100  1.0
  O  O30  1  0.76398300  0.45876000  0.27924600  1.0
  O  O31  1  0.45876000  0.69477700  0.94591300  1.0
  O  O32  1  0.76398300  0.30522300  0.05408700  1.0
  O  O33  1  0.23601700  0.54124000  0.27924600  1.0
  O  O34  1  0.69477700  0.23601700  0.61257900  1.0
  O  O35  1  0.30522300  0.76398300  0.61257900  1.0
  O  O36  1  0.36406600  0.07207000  0.61539300  1.0
  O  O37  1  0.92793000  0.29199600  0.28205900  1.0
  O  O38  1  0.63593400  0.92793000  0.61539300  1.0
  O  O39  1  0.07207000  0.36406600  0.05127400  1.0
  O  O40  1  0.70800400  0.63593400  0.94872600  1.0
  O  O41  1  0.07207000  0.70800400  0.28205900  1.0
  O  O42  1  0.29199600  0.92793000  0.38460700  1.0
  O  O43  1  0.92793000  0.63593400  0.05127400  1.0
  O  O44  1  0.29199600  0.36406600  0.94872600  1.0
  O  O45  1  0.70800400  0.07207000  0.38460700  1.0
  O  O46  1  0.63593400  0.70800400  0.71794100  1.0
  O  O47  1  0.36406600  0.29199600  0.71794100  1.0