# generated using pymatgen
data_Th2Al19VRe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89733623
_cell_length_b   6.89733713
_cell_length_c   9.18151628
_cell_angle_alpha   90.09967806
_cell_angle_beta   89.90032147
_cell_angle_gamma   97.21677303
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Al19VRe4
_chemical_formula_sum   'Th2 Al19 V1 Re4'
_cell_volume   433.33313370
_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  0.87071451  0.12633857  0.74750897  1.0
  Th  Th1  1  0.12633657  0.87070951  0.25249103  1.0
  Al  Al2  1  0.51750129  0.78143306  0.75520777  1.0
  Al  Al3  1  0.48203789  0.21609912  0.25221239  1.0
  Al  Al4  1  0.59843034  0.86054816  0.24726501  1.0
  Al  Al5  1  0.16223690  0.84192107  0.60304701  1.0
  Al  Al6  1  0.23080074  0.23080474  1.00000000  1.0
  Al  Al7  1  0.14021854  0.40279170  0.25106544  1.0
  Al  Al8  1  0.62777742  0.38044254  0.95698677  1.0
  Al  Al9  1  0.84427965  0.14982198  0.09806041  1.0
  Al  Al10  1  0.37726562  0.62067610  0.45601532  1.0
  Al  Al11  1  0.14981998  0.84427665  0.90193959  1.0
  Al  Al12  1  0.21609812  0.48203689  0.74778761  1.0
  Al  Al13  1  0.38043954  0.62777342  0.04301423  1.0
  Al  Al14  1  0.84192407  0.16223690  0.39695299  1.0
  Al  Al15  1  0.62067810  0.37726662  0.54398668  1.0
  Al  Al16  1  0.40279070  0.14021854  0.74893356  1.0
  Al  Al17  1  0.78143606  0.51750029  0.24479123  1.0
  Al  Al18  1  0.77340212  0.77340012  0.50000000  1.0
  Al  Al19  1  0.22788108  0.22788308  0.50000000  1.0
  Al  Al20  1  0.86055016  0.59842934  0.75273599  1.0
  V  V21  1  0.76141148  0.76141548  0.99999900  1.0
  Re  Re22  1  0.99785534  0.50380356  0.49951639  1.0
  Re  Re23  1  0.00533661  0.49898061  0.00064231  1.0
  Re  Re24  1  0.49897261  0.00534361  0.99935369  1.0
  Re  Re25  1  0.50380356  0.99785134  0.50048861  1.0