data_Nb2FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2FeP
_chemical_formula_sum   'Nb2 Fe1 P1'
_cell_volume   58.88
_cell_formula_units_Z   1
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  Nb1  1  0.36  0.27  0.57  1.0
  Nb  Nb2  1  0.36  0.73  0.57  1.0
  Fe  Fe0  1  0.71  0.0  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Nb2FeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.4
_cell_length_c   4.4
_cell_angle_alpha   103.84
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2FeP
_chemical_formula_sum   'Nb2 Fe1 P1'
_cell_volume   58.88
_cell_formula_units_Z   1
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  0.57  0.36  0.27  1.0
  Nb  Nb1  1  0.57  0.36  0.73  1.0
  Fe  Fe2  1  0.0  0.71  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Nb Nb Fe P
Nb2FeP crystallizes in the triclinic P1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to two equivalent Nb(2), two equivalent Fe(1), and two equivalent P(1) atoms. There is one shorter (2.04 Å) and one longer (2.36 Å) Nb(1)-Nb(2) bond length. There is one shorter (2.57 Å) and one longer (2.81 Å) Nb(1)-Fe(1) bond length. There is one shorter (2.19 Å) and one longer (2.47 Å) Nb(1)-P(1) bond length. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to two equivalent Nb(1), two equivalent Fe(1), and two equivalent P(1) atoms. There is one shorter (2.19 Å) and one longer (2.47 Å) Nb(2)-Fe(1) bond length. There is one shorter (2.57 Å) and one longer (2.81 Å) Nb(2)-P(1) bond length. Fe(1) is bonded in a distorted single-bond geometry to two equivalent Nb(1), two equivalent Nb(2), and one P(1) atom. The Fe(1)-P(1) bond length is 1.26 Å. P(1) is bonded in a 1-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), and one Fe(1) atom.