# generated using pymatgen
data_ThMn4(AlRe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90226499
_cell_length_b   6.80493185
_cell_length_c   6.80496604
_cell_angle_alpha   82.54926407
_cell_angle_beta   68.89176671
_cell_angle_gamma   68.89182749
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThMn4(AlRe)4
_chemical_formula_sum   'Th1 Mn4 Al4 Re4'
_cell_volume   197.56889014
_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
  Mn  Mn1  1  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn2  1  0.50000000  0.00000000  0.50000000  1.0
  Mn  Mn3  1  0.50000000  0.50000000  0.00000000  1.0
  Mn  Mn4  1  0.00000000  0.50000000  0.00000000  1.0
  Al  Al5  1  0.50000861  0.76637697  0.23361552  1.0
  Al  Al6  1  0.49999139  0.23362303  0.76638448  1.0
  Al  Al7  1  0.73352364  0.76637084  0.76637400  1.0
  Al  Al8  1  0.26647636  0.23362916  0.23362600  1.0
  Re  Re9  1  0.99997554  0.35831149  0.64173424  1.0
  Re  Re10  1  0.00002446  0.64168851  0.35826576  1.0
  Re  Re11  1  0.64194836  0.35822802  0.35818417  1.0
  Re  Re12  1  0.35805164  0.64177198  0.64181583  1.0