# generated using pymatgen
data_LiTa3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19108157
_cell_length_b   9.00025221
_cell_length_c   10.38062492
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa3N4
_chemical_formula_sum   'Li6 Ta18 N24'
_cell_volume   484.99362712
_cell_formula_units_Z   6
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  -0.00000000  0.00694722  0.50000000  1
  Li  Li1  1  -0.00000000  0.67193558  0.00000000  1
  Li  Li2  1  -0.00000000  0.98749414  0.00000000  1
  Li  Li3  1  0.50000000  0.50694722  0.00000000  1
  Li  Li4  1  0.50000000  0.48749414  0.50000000  1
  Li  Li5  1  0.50000000  0.17193558  0.50000000  1
  Ta  Ta6  1  0.15974362  0.83460086  0.75279893  1
  Ta  Ta7  1  0.32908268  0.00169899  0.25221053  1
  Ta  Ta8  1  0.50000000  0.81743062  0.00000000  1
  Ta  Ta9  1  0.50000000  0.85118422  0.50000000  1
  Ta  Ta10  1  0.66619721  0.66381393  0.75085637  1
  Ta  Ta11  1  0.65974362  0.33460086  0.74720107  1
  Ta  Ta12  1  0.67091732  0.00169899  0.74778947  1
  Ta  Ta13  1  0.82908268  0.50169899  0.24778947  1
  Ta  Ta14  1  0.84025638  0.83460086  0.24720107  1
  Ta  Ta15  1  -0.00000000  0.66305384  0.50000000  1
  Ta  Ta16  1  -0.00000000  0.35118422  0.00000000  1
  Ta  Ta17  1  -0.00000000  0.31743062  0.50000000  1
  Ta  Ta18  1  0.16619721  0.16381393  0.74914363  1
  Ta  Ta19  1  0.17091732  0.50169899  0.75221053  1
  Ta  Ta20  1  0.33380279  0.66381393  0.24914363  1
  Ta  Ta21  1  0.34025638  0.33460086  0.25279893  1
  Ta  Ta22  1  0.50000000  0.16305384  0.00000000  1
  Ta  Ta23  1  0.83380279  0.16381393  0.25085637  1
  N  N24  1  0.17755579  0.83234341  0.12247691  1
  N  N25  1  0.33492981  0.66910750  0.87884813  1
  N  N26  1  0.33458844  0.99851169  0.62110392  1
  N  N27  1  0.66312444  0.99824517  0.11896262  1
  N  N28  1  0.66833192  0.66989736  0.38072526  1
  N  N29  1  0.66507019  0.66910750  0.12115187  1
  N  N30  1  0.83150829  0.83275829  0.61844675  1
  N  N31  1  0.82244421  0.83234341  0.87752309  1
  N  N32  1  0.83492981  0.16910750  0.62115187  1
  N  N33  1  0.83166808  0.16989736  0.88072526  1
  N  N34  1  0.83458844  0.49851169  0.87889608  1
  N  N35  1  0.83687556  0.49824517  0.61896262  1
  N  N36  1  0.16312444  0.49824517  0.38103738  1
  N  N37  1  0.16541156  0.49851169  0.12110392  1
  N  N38  1  0.16849171  0.83275829  0.38155325  1
  N  N39  1  0.16833192  0.16989736  0.11927474  1
  N  N40  1  0.16507019  0.16910750  0.37884813  1
  N  N41  1  0.33166808  0.66989736  0.61927474  1
  N  N42  1  0.32244421  0.33234341  0.62247691  1
  N  N43  1  0.33150829  0.33275829  0.88155325  1
  N  N44  1  0.33687556  0.99824517  0.88103738  1
  N  N45  1  0.66541156  0.99851169  0.37889608  1
  N  N46  1  0.67755579  0.33234341  0.37752309  1
  N  N47  1  0.66849171  0.33275829  0.11844675  1
