# generated using pymatgen
data_LiTaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02758566
_cell_length_b   3.02758566
_cell_length_c   10.51757500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999265
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTaN2
_chemical_formula_sum   'Li2 Ta2 N4'
_cell_volume   83.49090367
_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
  Li  Li0  1  0.00000000  0.00000000  0.50000000  1
  Li  Li1  1  0.00000000  0.00000000  0.00000000  1
  Ta  Ta2  1  0.33333300  0.66666700  0.75000000  1
  Ta  Ta3  1  0.66666700  0.33333300  0.25000000  1
  N  N4  1  0.66666700  0.33333300  0.63270400  1
  N  N5  1  0.33333300  0.66666700  0.36729600  1
  N  N6  1  0.33333300  0.66666700  0.13270400  1
  N  N7  1  0.66666700  0.33333300  0.86729600  1
