# generated using pymatgen
data_ThRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37276925
_cell_length_b   5.37276914
_cell_length_c   9.48204418
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999448
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThRe2
_chemical_formula_sum   'Th4 Re8'
_cell_volume   237.04401742
_cell_formula_units_Z   4
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  0.33333300  0.66666700  0.05991245  1.0
  Th  Th1  1  0.66666700  0.33333300  0.55991245  1.0
  Th  Th2  1  0.66666700  0.33333300  0.94008755  1.0
  Th  Th3  1  0.33333300  0.66666700  0.44008755  1.0
  Re  Re4  1  0.00000000  0.00000000  -0.00000000  1.0
  Re  Re5  1  0.00000000  0.00000000  0.50000000  1.0
  Re  Re6  1  0.83103440  0.66207080  0.25000000  1.0
  Re  Re7  1  0.16896560  0.83103440  0.75000000  1.0
  Re  Re8  1  0.66207080  0.83103440  0.75000000  1.0
  Re  Re9  1  0.33792920  0.16896560  0.25000000  1.0
  Re  Re10  1  0.83103440  0.16896560  0.25000000  1.0
  Re  Re11  1  0.16896560  0.33792920  0.75000000  1.0