# generated using pymatgen
data_Th14Tc3NiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.94943167
_cell_length_b   9.86206488
_cell_length_c   6.35980023
_cell_angle_alpha   89.98500389
_cell_angle_beta   89.75003537
_cell_angle_gamma   119.96623754
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th14Tc3NiRu2
_chemical_formula_sum   'Th14 Tc3 Ni1 Ru2'
_cell_volume   540.60745497
_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  0.45605017  0.53545946  0.30153482  1.0
  Th  Th1  1  0.07813541  0.53543353  0.30283731  1.0
  Th  Th2  1  0.91820916  0.46102632  0.80462813  1.0
  Th  Th3  1  0.25277435  0.12532776  0.50450017  1.0
  Th  Th4  1  0.54217846  0.08150283  0.80017553  1.0
  Th  Th5  1  0.74815432  0.87435450  0.00695870  1.0
  Th  Th6  1  0.66784598  0.33510613  0.28560702  1.0
  Th  Th7  1  0.12681893  0.87324637  0.00408187  1.0
  Th  Th8  1  0.45974275  0.91944317  0.29754637  1.0
  Th  Th9  1  0.54282202  0.46306081  0.80285849  1.0
  Th  Th10  1  0.87361238  0.12315491  0.50638337  1.0
  Th  Th11  1  0.12362441  0.24630770  0.00371633  1.0
  Th  Th12  1  0.87474822  0.75189140  0.50304519  1.0
  Th  Th13  1  0.33320299  0.66663428  0.78653462  1.0
  Tc  Tc14  1  0.82298451  0.19562460  0.04450722  1.0
  Tc  Tc15  1  0.62810266  0.80980492  0.54642711  1.0
  Tc  Tc16  1  0.37257774  0.19319050  0.04130205  1.0
  Ni  Ni17  1  0.81476977  0.62877503  0.05298671  1.0
  Ru  Ru18  1  0.18336011  0.37075163  0.54541494  1.0
  Ru  Ru19  1  0.18028366  0.80990815  0.54295306  1.0