# generated using pymatgen
data_Nd16Al4NiRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.74197971
_cell_length_b   9.81075464
_cell_length_c   9.81075338
_cell_angle_alpha   59.99999748
_cell_angle_beta   59.76619017
_cell_angle_gamma   59.76619783
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd16Al4NiRu3
_chemical_formula_sum   'Nd16 Al4 Ni1 Ru3'
_cell_volume   660.68299271
_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
  Nd  Nd0  1  0.60134395  0.59872299  0.59872299  1.0
  Nd  Nd1  1  0.60134395  0.59872299  0.20121108  1.0
  Nd  Nd2  1  0.60134395  0.20121108  0.59872299  1.0
  Nd  Nd3  1  0.20262367  0.59912578  0.59912578  1.0
  Nd  Nd4  1  0.05512716  0.44551150  0.44551150  1.0
  Nd  Nd5  1  0.44366813  0.05500400  0.05500400  1.0
  Nd  Nd6  1  0.44366813  0.05500400  0.44632288  1.0
  Nd  Nd7  1  0.05512716  0.44551150  0.05385184  1.0
  Nd  Nd8  1  0.44366813  0.44632288  0.05500400  1.0
  Nd  Nd9  1  0.05512716  0.05385184  0.44551150  1.0
  Nd  Nd10  1  0.18899224  0.81010024  0.81010024  1.0
  Nd  Nd11  1  0.80806994  0.18812184  0.18812184  1.0
  Nd  Nd12  1  0.80806994  0.18812184  0.81568537  1.0
  Nd  Nd13  1  0.18899224  0.81010024  0.19080627  1.0
  Nd  Nd14  1  0.80806994  0.81568537  0.18812184  1.0
  Nd  Nd15  1  0.18899224  0.19080627  0.81010024  1.0
  Al  Al16  1  0.82503626  0.82360742  0.82360742  1.0
  Al  Al17  1  0.82503626  0.82360742  0.52774791  1.0
  Al  Al18  1  0.82503626  0.52774791  0.82360742  1.0
  Al  Al19  1  0.52793575  0.82402108  0.82402108  1.0
  Ni  Ni20  1  0.82801972  0.39066076  0.39066076  1.0
  Ru  Ru21  1  0.39156894  0.38705811  0.38705811  1.0
  Ru  Ru22  1  0.39156894  0.38705811  0.83431484  1.0
  Ru  Ru23  1  0.39156894  0.83431484  0.38705811  1.0