# generated using pymatgen
data_Ta5TiN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28756174
_cell_length_b   5.28756168
_cell_length_c   4.90933064
_cell_angle_alpha   90.46632355
_cell_angle_beta   90.46632202
_cell_angle_gamma   120.55747171
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta5TiN3
_chemical_formula_sum   'Ta5 Ti1 N3'
_cell_volume   118.17841022
_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
  Ta  Ta0  1  0.00432596  0.33850052  0.75547742  1.0
  Ta  Ta1  1  0.33850052  0.00432596  0.75547742  1.0
  Ta  Ta2  1  0.33079950  0.33079950  0.25553608  1.0
  Ta  Ta3  1  0.99502491  0.66085423  0.24149445  1.0
  Ta  Ta4  1  0.66085423  0.99502491  0.24149445  1.0
  Ti  Ti5  1  0.66819158  0.66819158  0.74806253  1.0
  N  N6  1  0.67079392  0.33448403  0.50273978  1.0
  N  N7  1  0.33448403  0.67079392  0.50273978  1.0
  N  N8  1  0.99702635  0.99702635  0.99697709  1.0