# generated using pymatgen
data_Nb2Fe2SiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56229845
_cell_length_b   6.24559693
_cell_length_c   7.19084979
_cell_angle_alpha   89.07273897
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Fe2SiP
_chemical_formula_sum   'Nb4 Fe4 Si2 P2'
_cell_volume   159.96596694
_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
  Nb  Nb0  1  0.25000000  0.53038336  0.17921853  1.0
  Nb  Nb1  1  0.75000000  0.46961664  0.82078147  1.0
  Nb  Nb2  1  0.75000000  0.97773480  0.66751318  1.0
  Nb  Nb3  1  0.25000000  0.02226520  0.33248682  1.0
  Fe  Fe4  1  0.25000000  0.63960886  0.55726983  1.0
  Fe  Fe5  1  0.75000000  0.36039114  0.44273017  1.0
  Fe  Fe6  1  0.75000000  0.86038442  0.06774041  1.0
  Fe  Fe7  1  0.25000000  0.13961558  0.93225959  1.0
  Si  Si8  1  0.25000000  0.76716022  0.86753794  1.0
  Si  Si9  1  0.75000000  0.23283978  0.13246206  1.0
  P  P10  1  0.75000000  0.71923900  0.38731836  1.0
  P  P11  1  0.25000000  0.28076100  0.61268164  1.0