# generated using pymatgen
data_HfTh4(WN4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63516431
_cell_length_b   5.71067263
_cell_length_c   7.99404655
_cell_angle_alpha   90.06270285
_cell_angle_beta   90.04768990
_cell_angle_gamma   90.01307523
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTh4(WN4)3
_chemical_formula_sum   'Hf1 Th4 W3 N12'
_cell_volume   257.25279328
_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
  Hf  Hf0  1  0.00000000  0.50000000  0.00000000  1.0
  Th  Th1  1  0.50465252  0.54288092  0.25140820  1.0
  Th  Th2  1  0.99520744  0.04246406  0.25120006  1.0
  Th  Th3  1  0.49534748  0.45711908  0.74859180  1.0
  Th  Th4  1  0.00479256  0.95753594  0.74879994  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  0.42153016  0.98164105  0.25037587  1.0
  N  N9  1  0.08484072  0.47681448  0.25714038  1.0
  N  N10  1  0.57846984  0.01835895  0.74962413  1.0
  N  N11  1  0.91515928  0.52318552  0.74285962  1.0
  N  N12  1  0.79784855  0.81342316  0.04371013  1.0
  N  N13  1  0.71104097  0.28761541  0.45960158  1.0
  N  N14  1  0.21114347  0.21070172  0.54297197  1.0
  N  N15  1  0.31357364  0.70210663  0.95724896  1.0
  N  N16  1  0.20215145  0.18657684  0.95628987  1.0
  N  N17  1  0.28895903  0.71238459  0.54039842  1.0
  N  N18  1  0.78885653  0.78929828  0.45702803  1.0
  N  N19  1  0.68642636  0.29789337  0.04275104  1.0