# generated using pymatgen
data_Th2MnN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53891548
_cell_length_b   3.87618614
_cell_length_c   6.88857021
_cell_angle_alpha   106.34073226
_cell_angle_beta   104.88435048
_cell_angle_gamma   89.99998123
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2MnN3
_chemical_formula_sum   'Th2 Mn1 N3'
_cell_volume   87.36786189
_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
  Th  Th0  1  0.64493937  0.64493937  0.28987774  1.0
  Th  Th1  1  0.35506063  0.35506063  0.71012226  1.0
  Mn  Mn2  1  0.00000000  0.00000000  -0.00000000  1.0
  N  N3  1  0.83686969  0.83686969  0.67373838  1.0
  N  N4  1  0.16313031  0.16313031  0.32626162  1.0
  N  N5  1  0.00000000  0.50000000  -0.00000000  1.0