# generated using pymatgen
data_Ti6SiPN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36015889
_cell_length_b   5.36015831
_cell_length_c   7.90556449
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.58376842
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6SiPN2
_chemical_formula_sum   'Ti6 Si1 P1 N2'
_cell_volume   128.37808140
_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  0.63041747  0.36958253  0.54838642  1.0
  Ti  Ti1  1  0.36683193  0.63316807  0.05657816  1.0
  Ti  Ti2  1  0.36683193  0.63316807  0.44342184  1.0
  Ti  Ti3  1  0.63041747  0.36958253  0.95161358  1.0
  Ti  Ti4  1  0.94838570  0.05161430  0.75000000  1.0
  Ti  Ti5  1  0.06059851  0.93940149  0.25000000  1.0
  Si  Si6  1  0.25428441  0.74571559  0.75000000  1.0
  P  P7  1  0.74372792  0.25627208  0.25000000  1.0
  N  N8  1  0.99925133  0.00074867  0.49710172  1.0
  N  N9  1  0.99925133  0.00074867  0.00289828  1.0