# generated using pymatgen
data_ThTcN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53006944
_cell_length_b   5.61476260
_cell_length_c   7.82950407
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThTcN3
_chemical_formula_sum   'Th4 Tc4 N12'
_cell_volume   243.10631322
_cell_formula_units_Z   4
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  0.50415372  0.54432057  0.25000000  1.0
  Th  Th1  1  0.99584628  0.04432057  0.25000000  1.0
  Th  Th2  1  0.49584628  0.45567943  0.75000000  1.0
  Th  Th3  1  0.00415372  0.95567943  0.75000000  1.0
  Tc  Tc4  1  0.00000000  0.50000000  0.00000000  1.0
  Tc  Tc5  1  0.50000000  0.00000000  0.50000000  1.0
  Tc  Tc6  1  0.00000000  0.50000000  0.50000000  1.0
  Tc  Tc7  1  0.50000000  0.00000000  0.00000000  1.0
  N  N8  1  0.42822688  0.98514349  0.25000000  1.0
  N  N9  1  0.07177312  0.48514349  0.25000000  1.0
  N  N10  1  0.57177312  0.01485651  0.75000000  1.0
  N  N11  1  0.92822688  0.51485651  0.75000000  1.0
  N  N12  1  0.79650963  0.79413847  0.03804012  1.0
  N  N13  1  0.70349037  0.29413847  0.46195988  1.0
  N  N14  1  0.20349037  0.20586153  0.53804012  1.0
  N  N15  1  0.29650963  0.70586153  0.96195988  1.0
  N  N16  1  0.20349037  0.20586153  0.96195988  1.0
  N  N17  1  0.29650963  0.70586153  0.53804012  1.0
  N  N18  1  0.79650963  0.79413847  0.46195988  1.0
  N  N19  1  0.70349037  0.29413847  0.03804012  1.0