# generated using pymatgen
data_Li2Nd6Cd21As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.90513085
_cell_length_b   9.90512964
_cell_length_c   9.97902943
_cell_angle_alpha   59.75288841
_cell_angle_beta   59.75289249
_cell_angle_gamma   60.30787702
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Nd6Cd21As
_chemical_formula_sum   'Li2 Nd6 Cd21 As1'
_cell_volume   691.28015381
_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
  Li  Li0  1  0.00000000  0.00000000  0.50000000  1.0
  Li  Li1  1  0.50000000  0.50000000  0.50000000  1.0
  Nd  Nd2  1  0.78982182  0.78982182  0.21017818  1.0
  Nd  Nd3  1  0.21138665  0.78861335  0.20604182  1.0
  Nd  Nd4  1  0.78861335  0.21138665  0.20604182  1.0
  Nd  Nd5  1  0.21017818  0.21017818  0.78982182  1.0
  Nd  Nd6  1  0.78861335  0.21138665  0.79395818  1.0
  Nd  Nd7  1  0.21138665  0.78861335  0.79395818  1.0
  Cd  Cd8  1  0.83626687  0.83626687  0.50475288  1.0
  Cd  Cd9  1  0.83259888  0.50817460  0.82961326  1.0
  Cd  Cd10  1  0.50817460  0.83259888  0.82961326  1.0
  Cd  Cd11  1  0.83626687  0.83626687  0.82271539  1.0
  Cd  Cd12  1  0.16373313  0.16373313  0.49524712  1.0
  Cd  Cd13  1  0.16740112  0.49182540  0.17038674  1.0
  Cd  Cd14  1  0.49182540  0.16740112  0.17038674  1.0
  Cd  Cd15  1  0.16373313  0.16373313  0.17728461  1.0
  Cd  Cd16  1  0.61844528  0.61844528  0.14648696  1.0
  Cd  Cd17  1  0.62809401  0.14549769  0.61320465  1.0
  Cd  Cd18  1  0.14549769  0.62809401  0.61320465  1.0
  Cd  Cd19  1  0.61844528  0.61844528  0.61662148  1.0
  Cd  Cd20  1  0.38155472  0.38155472  0.85351304  1.0
  Cd  Cd21  1  0.37190599  0.85450231  0.38679535  1.0
  Cd  Cd22  1  0.85450231  0.37190599  0.38679535  1.0
  Cd  Cd23  1  0.38155472  0.38155472  0.38337852  1.0
  Cd  Cd24  1  0.50000000  0.00000000  0.50000000  1.0
  Cd  Cd25  1  0.00000000  0.50000000  0.50000000  1.0
  Cd  Cd26  1  0.50000000  0.50000000  0.00000000  1.0
  Cd  Cd27  1  0.00000000  0.50000000  0.00000000  1.0
  Cd  Cd28  1  0.50000000  0.00000000  0.00000000  1.0
  As  As29  1  0.00000000  0.00000000  0.00000000  1.0