data_Fe2MoP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   2.7
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2MoP
_chemical_formula_sum   'Fe2 Mo1 P1'
_cell_volume   46.93
_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
  Fe  Fe0  1  0.81  0.0  0.32  1.0
  Fe  Fe1  1  0.81  0.0  0.17  1.0
  Mo  Mo2  1  0.0  0.0  0.24  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Fe2MoP
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   2.7
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2MoP
_chemical_formula_sum   'Fe2 Mo1 P1'
_cell_volume   46.93
_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
  Fe  Fe0  1  0.81  0.0  0.17  1.0
  Fe  Fe1  1  0.81  0.0  0.32  1.0
  Mo  Mo2  1  0.0  0.0  0.24  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Fe Fe Mo P
MoFe2P is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MoFe2P cluster. Mo(1) is bonded in a distorted L-shaped geometry to one Fe(1) and one Fe(2) atom. The Mo(1)-Fe(1) bond length is 0.71 Å. The Mo(1)-Fe(2) bond length is 0.71 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Mo(1) atom. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to one Mo(1) and one P(1) atom. The Fe(2)-P(1) bond length is 1.20 Å. P(1) is bonded in a single-bond geometry to one Fe(2) atom.