# generated using pymatgen
data_NdScSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28831200
_cell_length_b   4.28831200
_cell_length_c   8.49796364
_cell_angle_alpha   104.61449073
_cell_angle_beta   104.61449073
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdScSi
_chemical_formula_sum   'Nd2 Sc2 Si2'
_cell_volume   145.98691634
_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  0.67692400  0.67692400  0.35384800  1.0
  Nd  Nd1  1  0.32307600  0.32307600  0.64615200  1.0
  Sc  Sc2  1  0.50000000  0.00000000  0.00000000  1.0
  Sc  Sc3  1  0.00000000  0.50000000  0.00000000  1.0
  Si  Si4  1  0.87862400  0.87862400  0.75724800  1.0
  Si  Si5  1  0.12137600  0.12137600  0.24275200  1.0