# generated using pymatgen
data_Nd3Al4Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09134515
_cell_length_b   8.09134537
_cell_length_c   8.09134661
_cell_angle_alpha   91.68647062
_cell_angle_beta   119.03114384
_cell_angle_gamma   119.03113538
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Al4Cl
_chemical_formula_sum   'Nd6 Al8 Cl2'
_cell_volume   379.88974201
_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  0.81913095  0.65956497  0.15956597  1.0
  Nd  Nd1  1  0.00000000  0.25000000  0.25000000  1.0
  Nd  Nd2  1  0.50000100  0.15956597  0.34043503  1.0
  Nd  Nd3  1  0.50000100  0.84043503  0.65956597  1.0
  Nd  Nd4  1  0.00000000  0.75000000  0.75000000  1.0
  Nd  Nd5  1  0.18086905  0.34043403  0.84043503  1.0
  Al  Al6  1  0.49999900  0.84448003  0.05644921  1.0
  Al  Al7  1  0.21196918  0.65551997  0.15551997  1.0
  Al  Al8  1  0.50000100  0.55644921  0.34448003  1.0
  Al  Al9  1  0.78803082  0.94355079  0.44355079  1.0
  Al  Al10  1  0.21196918  0.05644921  0.55644921  1.0
  Al  Al11  1  0.50000100  0.44355079  0.65551997  1.0
  Al  Al12  1  0.78803082  0.34448003  0.84448003  1.0
  Al  Al13  1  0.49999900  0.15551997  0.94355079  1.0
  Cl  Cl14  1  0.00000000  0.00000000  0.00000000  1.0
  Cl  Cl15  1  0.00000000  0.50000000  0.50000000  1.0