# generated using pymatgen
data_NdSc2(NiIr2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59859473
_cell_length_b   8.59859422
_cell_length_c   8.59859330
_cell_angle_alpha   35.39657157
_cell_angle_beta   35.39657536
_cell_angle_gamma   35.39658310
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdSc2(NiIr2)3
_chemical_formula_sum   'Nd1 Sc2 Ni3 Ir6'
_cell_volume   190.58000863
_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  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc1  1  0.85832840  0.85832840  0.85832840  1.0
  Sc  Sc2  1  0.14167160  0.14167160  0.14167160  1.0
  Ni  Ni3  1  0.66676457  0.66676457  0.66676457  1.0
  Ni  Ni4  1  0.33323543  0.33323543  0.33323543  1.0
  Ni  Ni5  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir6  1  0.41451914  0.91786530  0.41451914  1.0
  Ir  Ir7  1  0.41451914  0.41451914  0.91786530  1.0
  Ir  Ir8  1  0.91786530  0.41451914  0.41451914  1.0
  Ir  Ir9  1  0.58548086  0.08213470  0.58548086  1.0
  Ir  Ir10  1  0.58548086  0.58548086  0.08213470  1.0
  Ir  Ir11  1  0.08213470  0.58548086  0.58548086  1.0