# generated using pymatgen
data_Th4Sc(WN4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63273747
_cell_length_b   5.71361405
_cell_length_c   7.97584507
_cell_angle_alpha   90.10085599
_cell_angle_beta   90.04024527
_cell_angle_gamma   90.02023096
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th4Sc(WN4)3
_chemical_formula_sum   'Th4 Sc1 W3 N12'
_cell_volume   256.68844134
_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  0.50432931  0.54117461  0.24632557  1.0
  Th  Th1  1  0.99308685  0.04582725  0.24587396  1.0
  Th  Th2  1  0.49567069  0.45882539  0.75367443  1.0
  Th  Th3  1  0.00691315  0.95417275  0.75412604  1.0
  Sc  Sc4  1  0.00000000  0.50000000  0.00000000  1.0
  W  W5  1  0.50000000  0.00000000  0.50000000  1.0
  W  W6  1  0.00000000  0.50000000  0.50000000  1.0
  W  W7  1  0.50000000  0.00000000  0.00000000  1.0
  N  N8  1  0.41888103  0.98186604  0.25189222  1.0
  N  N9  1  0.08653177  0.47557785  0.26022631  1.0
  N  N10  1  0.58111897  0.01813396  0.74810778  1.0
  N  N11  1  0.91346823  0.52442215  0.73977369  1.0
  N  N12  1  0.79494360  0.81628385  0.04469856  1.0
  N  N13  1  0.71078642  0.28747628  0.45782448  1.0
  N  N14  1  0.21265185  0.20932824  0.54512842  1.0
  N  N15  1  0.31632154  0.70345464  0.95647421  1.0
  N  N16  1  0.20505640  0.18371615  0.95530144  1.0
  N  N17  1  0.28921358  0.71252372  0.54217552  1.0
  N  N18  1  0.78734815  0.79067176  0.45487158  1.0
  N  N19  1  0.68367846  0.29654536  0.04352579  1.0