# generated using pymatgen
data_Li2Ta3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34105074
_cell_length_b   5.34105074
_cell_length_c   9.63966580
_cell_angle_alpha   89.06470999
_cell_angle_beta   89.06470999
_cell_angle_gamma   46.32779780
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ta3N5
_chemical_formula_sum   'Li4 Ta6 N10'
_cell_volume   198.86884087
_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  0.64674255  0.64674255  0.45155467  1
  Li  Li1  1  0.45724346  0.45724346  0.84691838  1
  Li  Li2  1  0.54275654  0.54275654  0.15308162  1
  Li  Li3  1  0.35325745  0.35325745  0.54844533  1
  Ta  Ta4  1  0.05503708  0.05503708  0.64376625  1
  Ta  Ta5  1  0.94496292  0.94496292  0.35623375  1
  Ta  Ta6  1  0.76285442  0.76285442  0.74413266  1
  Ta  Ta7  1  0.23714558  0.23714558  0.25586734  1
  Ta  Ta8  1  0.14217974  0.14217974  0.95278502  1
  Ta  Ta9  1  0.85782026  0.85782026  0.04721498  1
  N  N10  1  0.56826214  0.56826214  0.65579990  1
  N  N11  1  0.43173786  0.43173786  0.34420010  1
  N  N12  1  0.86148477  0.86148477  0.55358815  1
  N  N13  1  0.04638417  0.04638417  0.15375598  1
  N  N14  1  0.95361583  0.95361583  0.84624402  1
  N  N15  1  0.13851523  0.13851523  0.44641185  1
  N  N16  1  0.34565981  0.34565981  0.04959614  1
  N  N17  1  0.65434019  0.65434019  0.95040386  1
  N  N18  1  0.75005634  0.75005634  0.25071419  1
  N  N19  1  0.24994366  0.24994366  0.74928581  1
