# generated using pymatgen
data_TiCoN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75287574
_cell_length_b   4.12137880
_cell_length_c   6.83798009
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCoN2
_chemical_formula_sum   'Ti4 Co4 N8'
_cell_volume   162.12700436
_cell_formula_units_Z   4
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  0.75000000  0.61488800  0.62248800  1
  Ti  Ti1  1  0.25000000  0.38511200  0.37751200  1
  Ti  Ti2  1  0.25000000  0.88511200  0.12248800  1
  Ti  Ti3  1  0.75000000  0.11488800  0.87751200  1
  Co  Co4  1  0.75000000  0.56279200  0.15629400  1
  Co  Co5  1  0.25000000  0.43720800  0.84370600  1
  Co  Co6  1  0.25000000  0.93720800  0.65629400  1
  Co  Co7  1  0.75000000  0.06279200  0.34370600  1
  N  N8  1  0.25000000  0.60595400  0.60432600  1
  N  N9  1  0.75000000  0.39404600  0.39567400  1
  N  N10  1  0.75000000  0.89404600  0.10432600  1
  N  N11  1  0.25000000  0.10595400  0.89567400  1
  N  N12  1  0.25000000  0.54145200  0.12166300  1
  N  N13  1  0.75000000  0.45854800  0.87833700  1
  N  N14  1  0.75000000  0.95854800  0.62166300  1
  N  N15  1  0.25000000  0.04145200  0.37833700  1
