# generated using pymatgen
data_LiTaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.59389220
_cell_length_b   4.15914215
_cell_length_c   4.16608123
_cell_angle_alpha   89.99994134
_cell_angle_beta   90.00000124
_cell_angle_gamma   89.99995110
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTaN2
_chemical_formula_sum   'Li8 Ta8 N16'
_cell_volume   322.18239485
_cell_formula_units_Z   8
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  0.18717055  0.99652102  0.74452059  1
  Li  Li1  1  0.81282930  0.00348026  0.25547931  1
  Li  Li2  1  0.31283156  0.99652139  0.24451994  1
  Li  Li3  1  0.68716840  0.00347838  0.75547799  1
  Li  Li4  1  0.06258594  0.49964053  0.74975573  1
  Li  Li5  1  0.93741356  0.50035995  0.25024355  1
  Li  Li6  1  0.43741463  0.49964069  0.24975564  1
  Li  Li7  1  0.56258564  0.50035965  0.75024364  1
  Ta  Ta8  1  0.43757361  0.99154770  0.75477515  1
  Ta  Ta9  1  0.56242781  0.00845305  0.24522769  1
  Ta  Ta10  1  0.06242876  0.99154741  0.25477556  1
  Ta  Ta11  1  0.93756993  0.00845294  0.74522410  1
  Ta  Ta12  1  0.31249884  0.49494144  0.73340299  1
  Ta  Ta13  1  0.68750173  0.50505026  0.26660408  1
  Ta  Ta14  1  0.18750725  0.49494230  0.23340076  1
  Ta  Ta15  1  0.81249273  0.50506051  0.76659498  1
  N  N16  1  0.32468601  0.99972196  0.74936442  1
  N  N17  1  0.67531381  0.00027907  0.25063455  1
  N  N18  1  0.17531571  0.99972183  0.24936465  1
  N  N19  1  0.82468426  0.00027836  0.75063476  1
  N  N20  1  0.42534006  0.50099044  0.74729006  1
  N  N21  1  0.57466036  0.49900880  0.25271056  1
  N  N22  1  0.07466156  0.50099106  0.24729031  1
  N  N23  1  0.92533818  0.49900957  0.75270987  1
  N  N24  1  0.05037159  0.00125896  0.74842912  1
  N  N25  1  0.94962814  0.99874162  0.25157104  1
  N  N26  1  0.44962845  0.00125885  0.24842880  1
  N  N27  1  0.55037151  0.99874123  0.75157072  1
  N  N28  1  0.19961713  0.49895233  0.74975794  1
  N  N29  1  0.80038268  0.50104780  0.25024235  1
  N  N30  1  0.30038570  0.49895104  0.24975897  1
  N  N31  1  0.69961461  0.50104959  0.75024019  1
