# generated using pymatgen
data_Th14ReNi3Ru2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.87576560
_cell_length_b   9.87792654
_cell_length_c   6.29929219
_cell_angle_alpha   89.80873616
_cell_angle_beta   89.76107820
_cell_angle_gamma   119.80357231
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th14ReNi3Ru2
_chemical_formula_sum   'Th14 Re1 Ni3 Ru2'
_cell_volume   533.21572412
_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  0.46668081  0.54680993  0.29720082  1.0
  Th  Th1  1  0.08328161  0.54553908  0.29824897  1.0
  Th  Th2  1  0.91539553  0.45289281  0.80007726  1.0
  Th  Th3  1  0.24824441  0.12449068  0.49799771  1.0
  Th  Th4  1  0.54024315  0.08489396  0.79236762  1.0
  Th  Th5  1  0.75312662  0.87839479  0.00034541  1.0
  Th  Th6  1  0.66494464  0.33000985  0.29726173  1.0
  Th  Th7  1  0.12566843  0.87501743  0.00322241  1.0
  Th  Th8  1  0.45949099  0.91600038  0.29074993  1.0
  Th  Th9  1  0.53535277  0.45174395  0.79774740  1.0
  Th  Th10  1  0.87291026  0.12411313  0.49905226  1.0
  Th  Th11  1  0.12911747  0.25878127  0.00245459  1.0
  Th  Th12  1  0.87112775  0.74303251  0.50745527  1.0
  Th  Th13  1  0.33614668  0.66993453  0.79489248  1.0
  Re  Re14  1  0.80958353  0.62510273  0.05119972  1.0
  Ni  Ni15  1  0.80930350  0.18059872  0.05445579  1.0
  Ni  Ni16  1  0.62742631  0.81895524  0.55602137  1.0
  Ni  Ni17  1  0.37093562  0.18179927  0.05268273  1.0
  Ru  Ru18  1  0.18693289  0.36933993  0.54509892  1.0
  Ru  Ru19  1  0.19408703  0.82255379  0.54546561  1.0