# generated using pymatgen
data_Ti2(MoN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02365833
_cell_length_b   5.02365975
_cell_length_c   10.26266080
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001009
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2(MoN2)3
_chemical_formula_sum   'Ti4 Mo6 N12'
_cell_volume   224.30082663
_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  0.33333300  0.66666700  0.50000000  1.0
  Ti  Ti1  1  0.66666700  0.33333300  0.00000000  1.0
  Ti  Ti2  1  0.66666700  0.33333300  0.50000000  1.0
  Ti  Ti3  1  0.33333300  0.66666700  0.00000000  1.0
  Mo  Mo4  1  0.67398996  1.00000000  0.75000000  1.0
  Mo  Mo5  1  0.67398996  0.67398996  0.25000000  1.0
  Mo  Mo6  1  0.00000000  0.32601004  0.25000000  1.0
  Mo  Mo7  1  1.00000000  0.67398996  0.75000000  1.0
  Mo  Mo8  1  0.32601004  0.32601004  0.75000000  1.0
  Mo  Mo9  1  0.32601004  0.00000000  0.25000000  1.0
  N  N10  1  0.34259917  0.34259917  0.37653888  1.0
  N  N11  1  0.65740083  1.00000000  0.37653888  1.0
  N  N12  1  1.00000000  0.65740083  0.37653888  1.0
  N  N13  1  0.00000000  0.34259917  0.87653888  1.0
  N  N14  1  0.65740083  1.00000000  0.12346112  1.0
  N  N15  1  0.65740083  0.65740083  0.87653888  1.0
  N  N16  1  0.34259917  0.00000000  0.87653888  1.0
  N  N17  1  0.65740083  0.65740083  0.62346112  1.0
  N  N18  1  0.00000000  0.34259917  0.62346112  1.0
  N  N19  1  1.00000000  0.65740083  0.12346112  1.0
  N  N20  1  0.34259917  0.00000000  0.62346112  1.0
  N  N21  1  0.34259917  0.34259917  0.12346112  1.0