# generated using pymatgen
data_Th7Re2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.05164947
_cell_length_b   10.01486101
_cell_length_c   6.35738640
_cell_angle_alpha   89.99999613
_cell_angle_beta   89.57514586
_cell_angle_gamma   119.87899800
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th7Re2Ir
_chemical_formula_sum   'Th14 Re4 Ir2'
_cell_volume   554.88612330
_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  0.46162621  0.53819010  0.30003759  1.0
  Th  Th1  1  0.07253181  0.53626640  0.29539976  1.0
  Th  Th2  1  0.91968809  0.45984304  0.79961779  1.0
  Th  Th3  1  0.25916165  0.12958132  0.50469408  1.0
  Th  Th4  1  0.54295640  0.07830658  0.80109505  1.0
  Th  Th5  1  0.75072757  0.87536379  0.00671861  1.0
  Th  Th6  1  0.66704433  0.33352217  0.27790356  1.0
  Th  Th7  1  0.12602755  0.87502029  0.00430060  1.0
  Th  Th8  1  0.46162621  0.92343711  0.30003759  1.0
  Th  Th9  1  0.54295640  0.46464883  0.80109505  1.0
  Th  Th10  1  0.87191307  0.12254500  0.50680425  1.0
  Th  Th11  1  0.12602755  0.25100726  0.00430060  1.0
  Th  Th12  1  0.87191307  0.74936807  0.50680425  1.0
  Th  Th13  1  0.33269882  0.66634941  0.78495067  1.0
  Re  Re14  1  0.81806943  0.63123576  0.04921814  1.0
  Re  Re15  1  0.81806943  0.18683468  0.04921814  1.0
  Re  Re16  1  0.61997179  0.80998640  0.55331482  1.0
  Re  Re17  1  0.36995467  0.18497784  0.04450883  1.0
  Ir  Ir18  1  0.18351697  0.37497934  0.54699080  1.0
  Ir  Ir19  1  0.18351697  0.80853763  0.54699080  1.0