data_SiMoP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   3.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiMoP2
_chemical_formula_sum   'Si1 Mo1 P2'
_cell_volume   55.42
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.63  0.0  0.0  1.0
  P  P1  1  0.31  0.3  0.55  1.0
  P  P2  1  0.31  0.7  0.55  1.0

data_SiMoP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.3
_cell_length_c   4.3
_cell_angle_alpha   104.63
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiMoP2
_chemical_formula_sum   'Si1 Mo1 P2'
_cell_volume   55.42
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  -0.0  0.63  0.0  1.0
  P  P2  1  0.55  0.31  0.7  1.0
  P  P3  1  0.55  0.31  0.3  1.0

Si Mo P P
MoSiP2 crystallizes in the triclinic P1 space group. Mo(1) is bonded in a distorted single-bond geometry to two equivalent Si(1) and two equivalent P(2) atoms. There is one shorter (1.60 Å) and one longer (2.71 Å) Mo(1)-Si(1) bond length. There is one shorter (2.13 Å) and one longer (2.34 Å) Mo(1)-P(2) bond length. Si(1) is bonded in a 6-coordinate geometry to two equivalent Mo(1), two equivalent P(1), and two equivalent P(2) atoms. There is one shorter (2.13 Å) and one longer (2.34 Å) Si(1)-P(1) bond length. There is one shorter (2.51 Å) and one longer (2.69 Å) Si(1)-P(2) bond length. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 3-coordinate geometry to two equivalent Si(1) and two equivalent P(2) atoms. There is one shorter (1.73 Å) and one longer (2.57 Å) P(1)-P(2) bond length. In the second P site, P(2) is bonded in a 6-coordinate geometry to two equivalent Mo(1), two equivalent Si(1), and two equivalent P(1) atoms.