# generated using pymatgen
data_Li3TaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59123944
_cell_length_b   9.92030953
_cell_length_c   9.92030937
_cell_angle_alpha   90.00000257
_cell_angle_beta   125.26439213
_cell_angle_gamma   54.73560852
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3TaN2
_chemical_formula_sum   'Li24 Ta8 N16'
_cell_volume   488.14136195
_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  0.20951720  0.06100741  0.99642134  1
  Li  Li1  1  0.79048280  0.77052461  0.50357866  1
  Li  Li2  1  0.79048280  0.43899259  0.78690414  1
  Li  Li3  1  0.20951720  0.72947539  0.71309586  1
  Li  Li4  1  0.21667352  0.78690414  0.27410327  1
  Li  Li5  1  0.78332648  0.71309586  0.05742975  1
  Li  Li6  1  0.21667352  0.99642134  0.44257025  1
  Li  Li7  1  0.78332648  0.50357866  0.22589673  1
  Li  Li8  1  0.66846699  0.05742975  0.72947539  1
  Li  Li9  1  0.66846699  0.27410327  0.43899259  1
  Li  Li10  1  0.33153301  0.22589673  0.77052461  1
  Li  Li11  1  0.33153301  0.44257025  0.06100741  1
  Li  Li12  1  0.79048280  0.93899259  0.00357866  1
  Li  Li13  1  0.20951720  0.22947539  0.49642134  1
  Li  Li14  1  0.20951720  0.56100741  0.21309586  1
  Li  Li15  1  0.79048280  0.27052461  0.28690414  1
  Li  Li16  1  0.78332648  0.21309586  0.72589673  1
  Li  Li17  1  0.21667352  0.28690414  0.94257025  1
  Li  Li18  1  0.78332648  0.00357866  0.55742975  1
  Li  Li19  1  0.21667352  0.49642134  0.77410327  1
  Li  Li20  1  0.33153301  0.94257025  0.27052461  1
  Li  Li21  1  0.33153301  0.72589673  0.56100741  1
  Li  Li22  1  0.66846699  0.77410327  0.22947539  1
  Li  Li23  1  0.66846699  0.55742975  0.93899259  1
  Ta  Ta24  1  0.23593519  0.00000000  0.73593519  1
  Ta  Ta25  1  0.76406481  0.73593519  0.76406481  1
  Ta  Ta26  1  0.76406481  0.50000000  0.50000000  1
  Ta  Ta27  1  0.23593519  0.76406481  1.00000000  1
  Ta  Ta28  1  0.76406481  1.00000000  0.26406481  1
  Ta  Ta29  1  0.23593519  0.26406481  0.23593519  1
  Ta  Ta30  1  0.23593519  0.50000000  0.50000000  1
  Ta  Ta31  1  0.76406481  0.23593519  0.00000000  1
  N  N32  1  0.00000000  0.00000000  0.50000000  1
  N  N33  1  0.00000000  0.50000000  0.00000000  1
  N  N34  1  0.00000000  0.50000000  0.50000000  1
  N  N35  1  0.00000000  0.00000000  -0.00000000  1
  N  N36  1  0.50000000  0.98184483  0.75000000  1
  N  N37  1  0.50000000  0.51815517  0.25000000  1
  N  N38  1  -0.00000000  0.25000000  0.73184483  1
  N  N39  1  0.00000000  0.75000000  0.76815517  1
  N  N40  1  0.53631033  0.73184483  0.51815517  1
  N  N41  1  0.46368967  0.76815517  0.98184483  1
  N  N42  1  0.50000000  0.01815517  0.25000000  1
  N  N43  1  0.50000000  0.48184483  0.75000000  1
  N  N44  1  0.00000000  0.75000000  0.26815517  1
  N  N45  1  -0.00000000  0.25000000  0.23184483  1
  N  N46  1  0.46368967  0.26815517  0.48184483  1
  N  N47  1  0.53631033  0.23184483  0.01815517  1
