data_Mn2Al2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32
_cell_length_b   7.32
_cell_length_c   7.32
_cell_angle_alpha   154.97
_cell_angle_beta   154.97
_cell_angle_gamma   35.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Al2P
_chemical_formula_sum   'Mn2 Al2 P1'
_cell_volume   70.23
_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
  Mn  Mn2  1  0.0  0.59  0.49  1.0
  Mn  Mn3  1  0.59  0.0  0.49  1.0
  Al  Al0  1  0.0  0.0  0.36  1.0
  Al  Al1  1  0.0  0.0  0.59  1.0
  P  P4  1  0.0  0.0  0.0  1.0

data_Mn2Al2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   7.32
_cell_angle_alpha   90.0
_cell_angle_beta   107.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2Al2P
_chemical_formula_sum   'Mn4 Al4 P2'
_cell_volume   140.45
_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
  Mn  Mn0  4  0.19  0.29  0.9  1.0
  Al  Al1  2  0.09  0.5  0.59  1.0
  Al  Al2  2  0.36  0.0  0.36  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Mn Mn Al Al P
Mn2Al2P crystallizes in the monoclinic Cm space group. Mn(1) is bonded in a distorted bent 120 degrees geometry to one Al(2) and two equivalent P(1) atoms. The Mn(1)-Al(2) bond length is 2.38 Å. There is one shorter (1.64 Å) and one longer (1.85 Å) Mn(1)-P(1) bond length. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a linear geometry to one Al(2) and one P(1) atom. The Al(1)-Al(2) bond length is 1.68 Å. The Al(1)-P(1) bond length is 2.61 Å. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one Al(1) atom. P(1) is bonded in a 5-coordinate geometry to four equivalent Mn(1) and one Al(1) atom.