data_MoP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   3.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoP3
_chemical_formula_sum   'Mo1 P3'
_cell_volume   55.73
_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
  Mo  Mo0  1  0.62  0.0  0.0  1.0
  P  P1  1  0.31  0.26  0.52  1.0
  P  P2  1  0.31  0.74  0.52  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_MoP3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.37
_cell_length_c   4.37
_cell_angle_alpha   106.16
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoP3
_chemical_formula_sum   'Mo1 P3'
_cell_volume   55.73
_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
  Mo  Mo0  1  -0.0  0.62  0.0  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.52  0.31  0.26  1.0
  P  P3  1  0.52  0.31  0.74  1.0

Mo P P P
Mo P P P 0 3 + o o 0 1 o o o 0 1 o o - 0 2 o - o 0 2 o - - 1 3 o o o 1 3 o o + 1 2 o o o 1 2 o - o 2 3 o + o 2 3 o + + 
MoP3 crystallizes in the triclinic P1 space group. Mo(1) is bonded in a 3-coordinate geometry to one P(3), two equivalent P(1), and two equivalent P(2) atoms. The Mo(1)-P(3) bond length is 1.65 Å. There is one shorter (2.46 Å) and one longer (2.54 Å) Mo(1)-P(1) bond length. There is one shorter (2.09 Å) and one longer (2.18 Å) Mo(1)-P(2) bond length. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to two equivalent Mo(1), two equivalent P(2), and two equivalent P(3) atoms. There is one shorter (2.14 Å) and one longer (2.23 Å) P(1)-P(2) bond length. There is one shorter (2.09 Å) and one longer (2.18 Å) P(1)-P(3) bond length. In the second P site, P(2) is bonded in a 6-coordinate geometry to two equivalent Mo(1), two equivalent P(1), and two equivalent P(3) atoms. There is one shorter (2.46 Å) and one longer (2.54 Å) P(2)-P(3) bond length. In the third P site, P(3) is bonded in a 1-coordinate geometry to one Mo(1), two equivalent P(1), and two equivalent P(2) atoms.