# generated using pymatgen
data_Ca3NdAl8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.83780597
_cell_length_b   9.83780550
_cell_length_c   9.83780452
_cell_angle_alpha   33.28451769
_cell_angle_beta   33.28452371
_cell_angle_gamma   33.28452074
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3NdAl8
_chemical_formula_sum   'Ca3 Nd1 Al8'
_cell_volume   255.30948547
_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
  Ca  Ca0  1  0.62512981  0.62512981  0.62512981  1.0
  Ca  Ca1  1  0.99946704  0.99946704  0.99946704  1.0
  Ca  Ca2  1  0.50036753  0.50036753  0.50036753  1.0
  Nd  Nd3  1  0.12509768  0.12509768  0.12509768  1.0
  Al  Al4  1  0.56270184  0.56270184  0.06254391  1.0
  Al  Al5  1  0.06262273  0.06262273  0.56191694  1.0
  Al  Al6  1  0.56270184  0.06254391  0.56270184  1.0
  Al  Al7  1  0.06262273  0.56191694  0.06262273  1.0
  Al  Al8  1  0.81232339  0.81232339  0.81232339  1.0
  Al  Al9  1  0.31250556  0.31250556  0.31250556  1.0
  Al  Al10  1  0.06254391  0.56270184  0.56270184  1.0
  Al  Al11  1  0.56191694  0.06262273  0.06262273  1.0