# generated using pymatgen
data_Th(Al2Re)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20757954
_cell_length_b   6.91426027
_cell_length_c   6.91425927
_cell_angle_alpha   81.84714447
_cell_angle_beta   67.87784488
_cell_angle_gamma   67.87784043
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(Al2Re)4
_chemical_formula_sum   'Th1 Al8 Re4'
_cell_volume   213.65276334
_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  0.00000000  0.00000000  0.00000000  1.0
  Al  Al1  1  1.00000000  0.34938389  0.65061611  1.0
  Al  Al2  1  0.00000000  0.65061611  0.34938389  1.0
  Al  Al3  1  0.65061611  0.34938389  0.34938389  1.0
  Al  Al4  1  0.34938389  0.65061611  0.65061611  1.0
  Al  Al5  1  0.50000000  0.78281706  0.21718294  1.0
  Al  Al6  1  0.50000000  0.21718294  0.78281706  1.0
  Al  Al7  1  0.71718294  0.78281706  0.78281706  1.0
  Al  Al8  1  0.28281706  0.21718294  0.21718294  1.0
  Re  Re9  1  0.00000000  0.00000000  0.50000000  1.0
  Re  Re10  1  0.50000000  0.00000000  0.50000000  1.0
  Re  Re11  1  0.50000000  0.50000000  0.00000000  1.0
  Re  Re12  1  0.00000000  0.50000000  0.00000000  1.0