# generated using pymatgen
data_NdThN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32038732
_cell_length_b   6.32038720
_cell_length_c   6.32038646
_cell_angle_alpha   33.63022327
_cell_angle_beta   33.63022384
_cell_angle_gamma   33.63023420
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdThN2
_chemical_formula_sum   'Nd1 Th1 N2'
_cell_volume   68.98909093
_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
  Nd  Nd0  1  0.00000000  0.00000000  0.00000000  1.0
  Th  Th1  1  0.50000000  0.50000000  0.50000000  1.0
  N  N2  1  0.24465976  0.24465976  0.24465976  1.0
  N  N3  1  0.75534024  0.75534024  0.75534024  1.0