# generated using pymatgen
data_Th2TcMoN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55345756
_cell_length_b   5.62562887
_cell_length_c   7.88464692
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.12750653
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2TcMoN6
_chemical_formula_sum   'Th4 Tc2 Mo2 N12'
_cell_volume   246.32909408
_cell_formula_units_Z   2
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  0.50359539  0.54254402  0.24967998  1.0
  Th  Th1  1  0.99640461  0.04254402  0.25032002  1.0
  Th  Th2  1  0.49640461  0.45745598  0.75032002  1.0
  Th  Th3  1  0.00359539  0.95745598  0.74967998  1.0
  Tc  Tc4  1  0.00000000  0.50000000  0.00000000  1.0
  Tc  Tc5  1  0.50000000  0.00000000  0.50000000  1.0
  Mo  Mo6  1  0.00000000  0.50000000  0.50000000  1.0
  Mo  Mo7  1  0.50000000  0.00000000  0.00000000  1.0
  N  N8  1  0.43129559  0.98542199  0.24977707  1.0
  N  N9  1  0.06870441  0.48542199  0.25022293  1.0
  N  N10  1  0.56870441  0.01457801  0.75022293  1.0
  N  N11  1  0.93129559  0.51457801  0.74977707  1.0
  N  N12  1  0.79779725  0.79651307  0.03629903  1.0
  N  N13  1  0.70220275  0.29651307  0.46370097  1.0
  N  N14  1  0.20219973  0.20353521  0.53657711  1.0
  N  N15  1  0.29780027  0.70353521  0.96342289  1.0
  N  N16  1  0.20220275  0.20348693  0.96370097  1.0
  N  N17  1  0.29779725  0.70348693  0.53629903  1.0
  N  N18  1  0.79780027  0.79646479  0.46342289  1.0
  N  N19  1  0.70219973  0.29646479  0.03657711  1.0