# generated using pymatgen
data_Th2TiAl19Re4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92196884
_cell_length_b   6.92196960
_cell_length_c   9.21209057
_cell_angle_alpha   90.09396834
_cell_angle_beta   89.90603957
_cell_angle_gamma   97.34476128
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2TiAl19Re4
_chemical_formula_sum   'Th2 Ti1 Al19 Re4'
_cell_volume   437.76229200
_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  0.87122377  0.12834104  0.74627620  1.0
  Th  Th1  1  0.12834104  0.87122377  0.25372380  1.0
  Ti  Ti2  1  0.76392985  0.76392985  1.00000000  1.0
  Al  Al3  1  0.51726812  0.78369531  0.75447985  1.0
  Al  Al4  1  0.48186261  0.21624412  0.25239629  1.0
  Al  Al5  1  0.59796799  0.86205631  0.24831266  1.0
  Al  Al6  1  0.16144650  0.84202564  0.60245722  1.0
  Al  Al7  1  0.22858775  0.22858775  0.00000000  1.0
  Al  Al8  1  0.13995969  0.40263993  0.25121255  1.0
  Al  Al9  1  0.62763558  0.37892707  0.96064632  1.0
  Al  Al10  1  0.84428150  0.15147200  0.09855463  1.0
  Al  Al11  1  0.37615520  0.61957752  0.45902797  1.0
  Al  Al12  1  0.15147200  0.84428150  0.90144537  1.0
  Al  Al13  1  0.21624412  0.48186261  0.74760371  1.0
  Al  Al14  1  0.37892707  0.62763558  0.03935368  1.0
  Al  Al15  1  0.84202564  0.16144650  0.39754278  1.0
  Al  Al16  1  0.61957752  0.37615520  0.54097203  1.0
  Al  Al17  1  0.40263993  0.13995969  0.74878745  1.0
  Al  Al18  1  0.78369531  0.51726812  0.24552015  1.0
  Al  Al19  1  0.77361434  0.77361434  0.50000000  1.0
  Al  Al20  1  0.22820386  0.22820386  0.50000000  1.0
  Al  Al21  1  0.86205631  0.59796799  0.75168734  1.0
  Re  Re22  1  0.99663955  0.50205066  0.50080734  1.0
  Re  Re23  1  0.00805949  0.49613561  0.99988980  1.0
  Re  Re24  1  0.49613561  0.00805949  0.00011020  1.0
  Re  Re25  1  0.50205066  0.99663955  0.49919266  1.0