# generated using pymatgen
data_NdFeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00567211
_cell_length_b   4.09258389
_cell_length_c   8.66497109
_cell_angle_alpha   103.65982373
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdFeSi2
_chemical_formula_sum   'Nd2 Fe2 Si4'
_cell_volume   138.03174910
_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  0.25000000  0.89188835  0.78377771  1.0
  Nd  Nd1  1  0.75000000  0.10811165  0.21622229  1.0
  Fe  Fe2  1  0.75000000  0.74929980  0.49859960  1.0
  Fe  Fe3  1  0.25000000  0.25070020  0.50140040  1.0
  Si  Si4  1  0.25000000  0.68998224  0.37996448  1.0
  Si  Si5  1  0.75000000  0.31001776  0.62003552  1.0
  Si  Si6  1  0.75000000  0.46210708  0.92421317  1.0
  Si  Si7  1  0.25000000  0.53789292  0.07578683  1.0