# generated using pymatgen
data_LiTa2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21352229
_cell_length_b   5.21352329
_cell_length_c   10.30684901
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99979015
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa2N3
_chemical_formula_sum   'Li4 Ta8 N12'
_cell_volume   242.61632335
_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  0.33333304  0.66666661  0.00000004  1.0
  Li  Li1  1  0.33333304  0.66666661  0.49999996  1.0
  Li  Li2  1  0.66666696  0.33333339  0.50000004  1.0
  Li  Li3  1  0.66666696  0.33333339  0.99999996  1.0
  Ta  Ta4  1  0.00000091  0.35681323  0.25000000  1.0
  Ta  Ta5  1  0.64318672  0.99999935  0.75000000  1.0
  Ta  Ta6  1  0.35681252  0.35681237  0.75000000  1.0
  Ta  Ta7  1  0.00000000  0.00000000  0.50000000  1.0
  Ta  Ta8  1  0.00000000  0.00000000  0.00000000  1.0
  Ta  Ta9  1  0.64318748  0.64318763  0.25000000  1.0
  Ta  Ta10  1  0.35681328  0.00000065  0.25000000  1.0
  Ta  Ta11  1  0.99999909  0.64318677  0.75000000  1.0
  N  N12  1  0.68137520  0.68137515  0.62445552  1.0
  N  N13  1  0.68137520  0.68137515  0.87554448  1.0
  N  N14  1  0.31862480  0.31862485  0.12445552  1.0
  N  N15  1  0.31862480  0.31862485  0.37554448  1.0
  N  N16  1  0.31862456  0.99999954  0.87554454  1.0
  N  N17  1  0.31862456  0.99999954  0.62445546  1.0
  N  N18  1  0.00000050  0.68137556  0.37554440  1.0
  N  N19  1  0.00000050  0.68137556  0.12445560  1.0
  N  N20  1  0.68137544  0.00000046  0.12445546  1.0
  N  N21  1  0.68137544  0.00000046  0.37554454  1.0
  N  N22  1  0.99999950  0.31862444  0.87554440  1.0
  N  N23  1  0.99999950  0.31862444  0.62445560  1.0