# generated using pymatgen
data_Li2ThN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68753529
_cell_length_b   3.68753446
_cell_length_c   5.50573239
_cell_angle_alpha   89.99986946
_cell_angle_beta   90.00013702
_cell_angle_gamma   119.99952373
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ThN2
_chemical_formula_sum   'Li2 Th1 N2'
_cell_volume   64.83657824
_cell_formula_units_Z   1
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  0.33333353  0.66666692  0.40510625  1
  Li  Li1  1  0.66666594  0.33333268  0.59489398  1
  Th  Th2  1  0.00000027  0.00000016  0.00000024  1
  N  N3  1  0.33333297  0.66666763  0.77065055  1
  N  N4  1  0.66666730  0.33333261  0.22934998  1
