# generated using pymatgen
data_Th4Ti(WN4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58952521
_cell_length_b   5.64052042
_cell_length_c   7.94790399
_cell_angle_alpha   89.91536229
_cell_angle_beta   90.02290867
_cell_angle_gamma   90.05061737
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th4Ti(WN4)3
_chemical_formula_sum   'Th4 Ti1 W3 N12'
_cell_volume   250.57978334
_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  0.50184436  0.53864385  0.24530794  1.0
  Th  Th1  1  0.99643808  0.04332780  0.24494206  1.0
  Th  Th2  1  0.49815564  0.46135615  0.75469206  1.0
  Th  Th3  1  0.00356192  0.95667220  0.75505794  1.0
  Ti  Ti4  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  0.42694440  0.98477526  0.25004806  1.0
  N  N9  1  0.07541607  0.48118452  0.25174016  1.0
  N  N10  1  0.57305560  0.01522474  0.74995194  1.0
  N  N11  1  0.92458393  0.51881548  0.74825984  1.0
  N  N12  1  0.79625752  0.80148349  0.03819656  1.0
  N  N13  1  0.70577570  0.29360125  0.46265469  1.0
  N  N14  1  0.20606037  0.20536966  0.53859088  1.0
  N  N15  1  0.30076634  0.70355092  0.96160253  1.0
  N  N16  1  0.20374248  0.19851651  0.96180344  1.0
  N  N17  1  0.29422430  0.70639875  0.53734531  1.0
  N  N18  1  0.79393963  0.79463034  0.46140912  1.0
  N  N19  1  0.69923366  0.29644908  0.03839747  1.0