# generated using pymatgen
data_Th14Tc2IrRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.93153315
_cell_length_b   9.99317043
_cell_length_c   6.36642395
_cell_angle_alpha   89.99999578
_cell_angle_beta   89.74021867
_cell_angle_gamma   120.20551119
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th14Tc2IrRu3
_chemical_formula_sum   'Th14 Tc2 Ir1 Ru3'
_cell_volume   546.05539831
_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  0.45976686  0.53797346  0.30140851  1.0
  Th  Th1  1  0.08003892  0.54001946  0.30037232  1.0
  Th  Th2  1  0.91767057  0.45883479  0.80227824  1.0
  Th  Th3  1  0.25119096  0.12559648  0.50228025  1.0
  Th  Th4  1  0.54010042  0.08162585  0.80234172  1.0
  Th  Th5  1  0.75139067  0.87569384  0.00593660  1.0
  Th  Th6  1  0.66680976  0.33340388  0.28477628  1.0
  Th  Th7  1  0.12370514  0.87313100  0.00223799  1.0
  Th  Th8  1  0.45976686  0.92179340  0.30140851  1.0
  Th  Th9  1  0.54010042  0.45847356  0.80234172  1.0
  Th  Th10  1  0.87699184  0.12937389  0.50477981  1.0
  Th  Th11  1  0.12370514  0.25057414  0.00223799  1.0
  Th  Th12  1  0.87699184  0.74761895  0.50477981  1.0
  Th  Th13  1  0.33180662  0.66590431  0.79075119  1.0
  Tc  Tc14  1  0.81317068  0.63036531  0.04573861  1.0
  Tc  Tc15  1  0.81317068  0.18280537  0.04573861  1.0
  Ir  Ir16  1  0.62528598  0.81264299  0.55278370  1.0
  Ru  Ru17  1  0.36799457  0.18399829  0.04309978  1.0
  Ru  Ru18  1  0.19017105  0.37519309  0.54435068  1.0
  Ru  Ru19  1  0.19017105  0.81497695  0.54435068  1.0