# generated using pymatgen
data_Li4TaN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.88139027
_cell_length_b   8.88115263
_cell_length_c   8.88108037
_cell_angle_alpha   148.11415088
_cell_angle_beta   114.03434777
_cell_angle_gamma   75.14313825
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4TaN3
_chemical_formula_sum   'Li16 Ta4 N12'
_cell_volume   332.09372566
_cell_formula_units_Z   4
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  0.87949951  0.93823440  0.98854542  1
  Li  Li1  1  0.62047174  0.60903076  0.05871910  1
  Li  Li2  1  0.05030747  0.56174717  0.44124350  1
  Li  Li3  1  0.44968383  0.89093234  0.51143858  1
  Li  Li4  1  0.12050088  0.06176600  0.01145456  1
  Li  Li5  1  0.37952819  0.39096841  0.94128063  1
  Li  Li6  1  0.94969305  0.43825323  0.55875584  1
  Li  Li7  1  0.55031684  0.10906864  0.48856210  1
  Li  Li8  1  0.47579079  0.22574041  0.25005708  1
  Li  Li9  1  0.02426374  0.27428647  0.74999054  1
  Li  Li10  1  0.52421063  0.77426097  0.74994619  1
  Li  Li11  1  0.97573558  0.72571307  0.25000731  1
  Li  Li12  1  0.24997900  0.65811625  0.40810751  1
  Li  Li13  1  0.74998249  0.84166595  0.09165929  1
  Li  Li14  1  0.75002070  0.34188330  0.59189251  1
  Li  Li15  1  0.25001899  0.15833069  0.90833734  1
  Ta  Ta16  1  0.66904687  0.41903651  0.24999605  1
  Ta  Ta17  1  0.83095357  0.08094449  0.74998732  1
  Ta  Ta18  1  0.33095216  0.58096286  0.75000322  1
  Ta  Ta19  1  0.16904610  0.91905455  0.25001075  1
  N  N20  1  0.86701018  0.74998545  0.61699511  1
  N  N21  1  0.63298251  0.24998019  0.88297020  1
  N  N22  1  0.13299001  0.25001622  0.38300657  1
  N  N23  1  0.36701767  0.75002056  0.11703125  1
  N  N24  1  0.46051218  0.51847030  0.30682739  1
  N  N25  1  0.03948612  0.34630805  0.05795594  1
  N  N26  1  0.78834236  0.98151869  0.44202595  1
  N  N27  1  0.71165501  0.15368857  0.19318593  1
  N  N28  1  0.53948631  0.48153139  0.69317392  1
  N  N29  1  0.96051488  0.65369324  0.94204504  1
  N  N30  1  0.21165803  0.01848160  0.55797450  1
  N  N31  1  0.28834559  0.84631025  0.80681436  1
