# generated using pymatgen
data_Ti3ZnN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53821855
_cell_length_b   5.53821855
_cell_length_c   8.29981295
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   147.83917017
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3ZnN
_chemical_formula_sum   'Ti6 Zn2 N2'
_cell_volume   135.50740753
_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  0.62564183  0.37435817  0.04234539  1.0
  Ti  Ti1  1  0.37435817  0.62564183  0.54234539  1.0
  Ti  Ti2  1  0.37435817  0.62564183  0.95765461  1.0
  Ti  Ti3  1  0.62564183  0.37435817  0.45765461  1.0
  Ti  Ti4  1  0.96092231  0.03907769  0.25000000  1.0
  Ti  Ti5  1  0.03907769  0.96092231  0.75000000  1.0
  Zn  Zn6  1  0.25435420  0.74564580  0.25000000  1.0
  Zn  Zn7  1  0.74564580  0.25435420  0.75000000  1.0
  N  N8  1  -0.00000000  0.00000000  0.00000000  1.0
  N  N9  1  -0.00000000  0.00000000  0.50000000  1.0