# generated using pymatgen
data_NdSc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87741327
_cell_length_b   6.87679613
_cell_length_c   5.37739480
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99619782
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdSc3
_chemical_formula_sum   'Nd2 Sc6'
_cell_volume   220.25737761
_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  0.66666711  0.33332986  0.25000000  1.0
  Nd  Nd1  1  0.33333218  0.66666747  0.74999900  1.0
  Sc  Sc2  1  0.83786178  0.16219027  0.74999900  1.0
  Sc  Sc3  1  0.32443104  0.16220282  0.74999900  1.0
  Sc  Sc4  1  0.83786786  0.67567193  0.74999900  1.0
  Sc  Sc5  1  0.16217905  0.83775437  0.25000000  1.0
  Sc  Sc6  1  0.67545918  0.83772615  0.25000000  1.0
  Sc  Sc7  1  0.16220380  0.32446212  0.25000000  1.0