# generated using pymatgen
data_NdFeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85804400
_cell_length_b   5.27798500
_cell_length_c   10.40606000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdFeSi
_chemical_formula_sum   'Nd4 Fe4 Si4'
_cell_volume   211.89546091
_cell_formula_units_Z   4
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  0.75000000  0.74912800  0.02883400  1.0
  Nd  Nd1  1  0.75000000  0.24906900  0.47117200  1.0
  Nd  Nd2  1  0.25000000  0.25093100  0.97117200  1.0
  Nd  Nd3  1  0.25000000  0.75087200  0.52883400  1.0
  Fe  Fe4  1  0.75000000  0.24592900  0.19639700  1.0
  Fe  Fe5  1  0.75000000  0.74597700  0.30385300  1.0
  Fe  Fe6  1  0.25000000  0.75402300  0.80385300  1.0
  Fe  Fe7  1  0.25000000  0.25407100  0.69639700  1.0
  Si  Si8  1  0.75000000  0.50312100  0.74985200  1.0
  Si  Si9  1  0.75000000  0.00364000  0.74989100  1.0
  Si  Si10  1  0.25000000  0.49636000  0.24989100  1.0
  Si  Si11  1  0.25000000  0.99687900  0.24985200  1.0