# generated using pymatgen
data_NdThAlRe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44149661
_cell_length_b   5.44149777
_cell_length_c   9.21864333
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998702
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdThAlRe3
_chemical_formula_sum   'Nd2 Th2 Al2 Re6'
_cell_volume   236.39294955
_cell_formula_units_Z   2
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
  Nd  Nd0  1  0.66666700  0.33333300  0.43519845  1.0
  Nd  Nd1  1  0.33333300  0.66666700  0.56480155  1.0
  Th  Th2  1  0.33333300  0.66666700  0.92893265  1.0
  Th  Th3  1  0.66666700  0.33333300  0.07106735  1.0
  Al  Al4  1  0.00000000  0.00000000  0.50000000  1.0
  Al  Al5  1  0.00000000  0.00000000  0.00000000  1.0
  Re  Re6  1  0.66164336  0.83082218  0.24885706  1.0
  Re  Re7  1  0.16917782  0.83082218  0.24885706  1.0
  Re  Re8  1  0.16917782  0.33835664  0.24885706  1.0
  Re  Re9  1  0.33835664  0.16917782  0.75114294  1.0
  Re  Re10  1  0.83082218  0.16917782  0.75114294  1.0
  Re  Re11  1  0.83082218  0.66164336  0.75114294  1.0