# generated using pymatgen
data_Li7TaN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.74603171
_cell_length_b   9.74603171
_cell_length_c   9.74603171
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li7TaN4
_chemical_formula_sum   'Li56 Ta8 N32'
_cell_volume   925.72812884
_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  0.86816819  0.35996479  0.38394173  1
  Li  Li1  1  0.36816819  0.14003521  0.61605827  1
  Li  Li2  1  0.13183181  0.85996479  0.11605827  1
  Li  Li3  1  0.14003521  0.61605827  0.36816819  1
  Li  Li4  1  0.11605827  0.13183181  0.85996479  1
  Li  Li5  1  0.61605827  0.36816819  0.14003521  1
  Li  Li6  1  0.35996479  0.38394173  0.86816819  1
  Li  Li7  1  0.38394173  0.86816819  0.35996479  1
  Li  Li8  1  0.85996479  0.11605827  0.13183181  1
  Li  Li9  1  0.64003521  0.88394173  0.63183181  1
  Li  Li10  1  0.88394173  0.63183181  0.64003521  1
  Li  Li11  1  0.63183181  0.64003521  0.88394173  1
  Li  Li12  1  0.13183181  0.64003521  0.61605827  1
  Li  Li13  1  0.63183181  0.85996479  0.38394173  1
  Li  Li14  1  0.86816819  0.14003521  0.88394173  1
  Li  Li15  1  0.85996479  0.38394173  0.63183181  1
  Li  Li16  1  0.88394173  0.86816819  0.14003521  1
  Li  Li17  1  0.38394173  0.63183181  0.85996479  1
  Li  Li18  1  0.64003521  0.61605827  0.13183181  1
  Li  Li19  1  0.61605827  0.13183181  0.64003521  1
  Li  Li20  1  0.14003521  0.88394173  0.86816819  1
  Li  Li21  1  0.35996479  0.11605827  0.36816819  1
  Li  Li22  1  0.11605827  0.36816819  0.35996479  1
  Li  Li23  1  0.86728730  0.62029484  0.09896717  1
  Li  Li24  1  0.36816819  0.35996479  0.11605827  1
  Li  Li25  1  0.12029484  0.09896717  0.63271270  1
  Li  Li26  1  0.37970516  0.90103283  0.13271270  1
  Li  Li27  1  0.09896717  0.63271270  0.12029484  1
  Li  Li28  1  0.13271270  0.37970516  0.90103283  1
  Li  Li29  1  0.63271270  0.12029484  0.09896717  1
  Li  Li30  1  0.40103283  0.36728730  0.62029484  1
  Li  Li31  1  0.36728730  0.62029484  0.40103283  1
  Li  Li32  1  0.90103283  0.13271270  0.37970516  1
  Li  Li33  1  0.59896717  0.86728730  0.87970516  1
  Li  Li34  1  0.86728730  0.87970516  0.59896717  1
  Li  Li35  1  0.87970516  0.59896717  0.86728730  1
  Li  Li36  1  0.37970516  0.59896717  0.63271270  1
  Li  Li37  1  0.87970516  0.90103283  0.36728730  1
  Li  Li38  1  0.62029484  0.09896717  0.86728730  1
  Li  Li39  1  0.90103283  0.36728730  0.87970516  1
  Li  Li40  1  0.36815859  0.36815859  0.36815859  1
  Li  Li41  1  0.13184141  0.63184141  0.86815859  1
  Li  Li42  1  0.86815859  0.13184141  0.63184141  1
  Li  Li43  1  0.63184141  0.86815859  0.13184141  1
  Li  Li44  1  0.63184141  0.63184141  0.63184141  1
  Li  Li45  1  0.86815859  0.36815859  0.13184141  1
  Li  Li46  1  0.13184141  0.86815859  0.36815859  1
  Li  Li47  1  0.36815859  0.13184141  0.86815859  1
  Li  Li48  1  0.12029484  0.40103283  0.13271270  1
  Li  Li49  1  0.13271270  0.12029484  0.40103283  1
  Li  Li50  1  0.40103283  0.13271270  0.12029484  1
  Li  Li51  1  0.09896717  0.86728730  0.62029484  1
  Li  Li52  1  0.63271270  0.37970516  0.59896717  1
  Li  Li53  1  0.59896717  0.63271270  0.37970516  1
  Li  Li54  1  0.36728730  0.87970516  0.90103283  1
  Li  Li55  1  0.62029484  0.40103283  0.36728730  1
  Ta  Ta56  1  0.12755536  0.37244464  0.62755536  1
  Ta  Ta57  1  0.37244464  0.62755536  0.12755536  1
  Ta  Ta58  1  0.62755536  0.12755536  0.37244464  1
  Ta  Ta59  1  0.87244464  0.87244464  0.87244464  1
  Ta  Ta60  1  0.87244464  0.62755536  0.37244464  1
  Ta  Ta61  1  0.62755536  0.37244464  0.87244464  1
  Ta  Ta62  1  0.37244464  0.87244464  0.62755536  1
  Ta  Ta63  1  0.12755536  0.12755536  0.12755536  1
  N  N64  1  0.00979331  0.24471602  0.01373053  1
  N  N65  1  0.50979331  0.25528398  0.98626947  1
  N  N66  1  0.99020669  0.74471602  0.48626947  1
  N  N67  1  0.25528398  0.98626947  0.50979331  1
  N  N68  1  0.48626947  0.99020669  0.74471602  1
  N  N69  1  0.98626947  0.50979331  0.25528398  1
  N  N70  1  0.24471602  0.01373053  0.00979331  1
  N  N71  1  0.01373053  0.00979331  0.24471602  1
  N  N72  1  0.74471602  0.48626947  0.99020669  1
  N  N73  1  0.75528398  0.51373053  0.49020669  1
  N  N74  1  0.51373053  0.49020669  0.75528398  1
  N  N75  1  0.49020669  0.75528398  0.51373053  1
  N  N76  1  0.99020669  0.75528398  0.98626947  1
  N  N77  1  0.49020669  0.74471602  0.01373053  1
  N  N78  1  0.00979331  0.25528398  0.51373053  1
  N  N79  1  0.74471602  0.01373053  0.49020669  1
  N  N80  1  0.51373053  0.00979331  0.25528398  1
  N  N81  1  0.01373053  0.49020669  0.74471602  1
  N  N82  1  0.75528398  0.98626947  0.99020669  1
  N  N83  1  0.98626947  0.99020669  0.75528398  1
  N  N84  1  0.25528398  0.51373053  0.00979331  1
  N  N85  1  0.24471602  0.48626947  0.50979331  1
  N  N86  1  0.48626947  0.50979331  0.24471602  1
  N  N87  1  0.50979331  0.24471602  0.48626947  1
  N  N88  1  0.24276584  0.25723416  0.74276584  1
  N  N89  1  0.25723416  0.74276584  0.24276584  1
  N  N90  1  0.74276584  0.24276584  0.25723416  1
  N  N91  1  0.75723416  0.75723416  0.75723416  1
  N  N92  1  0.75723416  0.74276584  0.25723416  1
  N  N93  1  0.74276584  0.25723416  0.75723416  1
  N  N94  1  0.25723416  0.75723416  0.74276584  1
  N  N95  1  0.24276584  0.24276584  0.24276584  1
