data_ScMnP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMnP2
_chemical_formula_sum   'Sc1 Mn1 P2'
_cell_volume   53.93
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Mn  Mn0  1  0.0  0.0  0.25  1.0
  P  P1  1  0.44  0.44  0.59  1.0
  P  P2  1  0.44  0.44  0.91  1.0

data_ScMnP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScMnP2
_chemical_formula_sum   'Sc2 Mn2 P4'
_cell_volume   107.85
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sc  Sc0  2  0.0  0.0  0.0  1.0
  Mn  Mn1  2  0.0  0.0  0.25  1.0
  P  P2  2  0.44  0.0  0.59  1.0
  P  P3  2  0.44  0.0  0.91  1.0

Sc Mn P P
Sc Mn P P 0 3 o o - 0 3 o - - 0 3 - o - 0 3 - - - 0 1 o o o 2 3 o o o 
ScMnP2 crystallizes in the monoclinic Cm space group. Sc(1) is bonded in a 5-coordinate geometry to one Mn(1) and four equivalent P(2) atoms. The Sc(1)-Mn(1) bond length is 1.62 Å. There are a spread of Sc(1)-P(2) bond distances ranging from 1.90-2.36 Å. Mn(1) is bonded in a distorted single-bond geometry to one Sc(1) and four equivalent P(1) atoms. There are a spread of Mn(1)-P(1) bond distances ranging from 2.87-3.20 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 5-coordinate geometry to four equivalent Mn(1) and one P(2) atom. The P(1)-P(2) bond length is 2.02 Å. In the second P site, P(2) is bonded in a 5-coordinate geometry to four equivalent Sc(1) and one P(1) atom.