# generated using pymatgen
data_TaTeN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57332700
_cell_length_b   3.57332700
_cell_length_c   9.63213800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTeN
_chemical_formula_sum   'Ta2 Te2 N2'
_cell_volume   122.98955153
_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
  Ta  Ta0  1  0.50000000  0.00000000  0.11284900  1.0
  Ta  Ta1  1  0.00000000  0.50000000  0.88715100  1.0
  Te  Te2  1  0.50000000  0.00000000  0.70301900  1.0
  Te  Te3  1  0.00000000  0.50000000  0.29698100  1.0
  N  N4  1  0.50000000  0.50000000  0.00000000  1.0
  N  N5  1  0.00000000  0.00000000  0.00000000  1.0