# generated using pymatgen
data_Th14ReTcIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.99563967
_cell_length_b   10.06774674
_cell_length_c   6.37350970
_cell_angle_alpha   89.74988008
_cell_angle_beta   89.91292831
_cell_angle_gamma   120.10209635
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th14ReTcIr4
_chemical_formula_sum   'Th14 Re1 Tc1 Ir4'
_cell_volume   554.87647077
_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  0.46583796  0.54288377  0.29603161  1.0
  Th  Th1  1  0.07726890  0.54071889  0.29731012  1.0
  Th  Th2  1  0.91619131  0.45616134  0.80134508  1.0
  Th  Th3  1  0.25494801  0.12770658  0.50093887  1.0
  Th  Th4  1  0.54329685  0.08226088  0.79858736  1.0
  Th  Th5  1  0.75167351  0.87716777  0.00421997  1.0
  Th  Th6  1  0.66701600  0.33266570  0.28482125  1.0
  Th  Th7  1  0.12213377  0.87145188  0.00351328  1.0
  Th  Th8  1  0.46320263  0.92209499  0.29684945  1.0
  Th  Th9  1  0.54065888  0.45875192  0.79978070  1.0
  Th  Th10  1  0.87422180  0.12774803  0.50180128  1.0
  Th  Th11  1  0.12248799  0.25344986  0.00190186  1.0
  Th  Th12  1  0.87370483  0.74614809  0.50516928  1.0
  Th  Th13  1  0.33357788  0.66714290  0.79498249  1.0
  Re  Re14  1  0.81001782  0.62666304  0.05185315  1.0
  Tc  Tc15  1  0.81073682  0.18030817  0.04289881  1.0
  Ir  Ir16  1  0.62339439  0.81216903  0.55272479  1.0
  Ir  Ir17  1  0.36911593  0.18374658  0.05055984  1.0
  Ir  Ir18  1  0.19021520  0.37683687  0.54762935  1.0
  Ir  Ir19  1  0.19030052  0.81392171  0.55107847  1.0