# generated using pymatgen
data_Th7ReIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.01749419
_cell_length_b   10.09735513
_cell_length_c   6.36951021
_cell_angle_alpha   90.00000515
_cell_angle_beta   90.34356240
_cell_angle_gamma   120.26407033
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th7ReIr2
_chemical_formula_sum   'Th14 Re2 Ir4'
_cell_volume   556.45639483
_cell_formula_units_Z   2
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  0.45937520  0.54110637  0.29833470  1.0
  Th  Th1  1  0.08290976  0.54145488  0.30174483  1.0
  Th  Th2  1  0.92297682  0.46148791  0.79692090  1.0
  Th  Th3  1  0.24836690  0.12418445  0.50478033  1.0
  Th  Th4  1  0.53430244  0.07694368  0.79592469  1.0
  Th  Th5  1  0.74485881  0.87242940  0.99982103  1.0
  Th  Th6  1  0.66612536  0.33306168  0.29360224  1.0
  Th  Th7  1  0.12610055  0.87200109  0.00426268  1.0
  Th  Th8  1  0.45937520  0.91826883  0.29833470  1.0
  Th  Th9  1  0.53430244  0.45735976  0.79592469  1.0
  Th  Th10  1  0.87698451  0.12982751  0.50272081  1.0
  Th  Th11  1  0.12610055  0.25409846  0.00426268  1.0
  Th  Th12  1  0.87698451  0.74715800  0.50272081  1.0
  Th  Th13  1  0.33348379  0.66674240  0.78366562  1.0
  Re  Re14  1  0.19036398  0.37247905  0.55005394  1.0
  Re  Re15  1  0.19036398  0.81788493  0.55005394  1.0
  Ir  Ir16  1  0.80941958  0.62317726  0.04879633  1.0
  Ir  Ir17  1  0.80941958  0.18624233  0.04879633  1.0
  Ir  Ir18  1  0.63142901  0.81571501  0.54977762  1.0
  Ir  Ir19  1  0.37675703  0.18837802  0.05349713  1.0