# generated using pymatgen
data_Nd4Al5Br2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.65278721
_cell_length_b   11.65278752
_cell_length_c   4.28559845
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.61007041
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd4Al5Br2
_chemical_formula_sum   'Nd8 Al10 Br4'
_cell_volume   580.77576129
_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  0.73333476  0.73333476  0.00000000  1.0
  Nd  Nd1  1  0.03888502  0.67515199  0.50000000  1.0
  Nd  Nd2  1  0.36451472  0.63548528  0.00000000  1.0
  Nd  Nd3  1  0.96111498  0.32484801  0.50000000  1.0
  Nd  Nd4  1  0.26666524  0.26666524  0.00000000  1.0
  Nd  Nd5  1  0.63548528  0.36451472  0.00000000  1.0
  Nd  Nd6  1  0.67515199  0.03888502  0.50000000  1.0
  Nd  Nd7  1  0.32484801  0.96111498  0.50000000  1.0
  Al  Al8  1  0.57921452  0.57921452  0.50000000  1.0
  Al  Al9  1  0.42078548  0.42078548  0.50000000  1.0
  Al  Al10  1  0.21681448  0.48182831  0.50000000  1.0
  Al  Al11  1  0.78318552  0.51817169  0.50000000  1.0
  Al  Al12  1  0.52930632  0.89766759  0.00000000  1.0
  Al  Al13  1  0.51817169  0.78318552  0.50000000  1.0
  Al  Al14  1  0.47069368  0.10233241  0.00000000  1.0
  Al  Al15  1  0.10233241  0.47069368  0.00000000  1.0
  Al  Al16  1  0.48182831  0.21681448  0.50000000  1.0
  Al  Al17  1  0.89766759  0.52930632  0.00000000  1.0
  Br  Br18  1  0.87597287  0.87597287  0.50000000  1.0
  Br  Br19  1  0.17321231  0.82678769  0.00000000  1.0
  Br  Br20  1  0.12402713  0.12402713  0.50000000  1.0
  Br  Br21  1  0.82678769  0.17321231  0.00000000  1.0