data_MnAl2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.22
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   91.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAl2P
_chemical_formula_sum   'Mn1 Al2 P1'
_cell_volume   51.1
_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  0.95  0.0  0.53  1.0
  Al  Al0  1  0.53  0.61  0.29  1.0
  Al  Al1  1  0.51  0.61  0.76  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_MnAl2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.22
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   91.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAl2P
_chemical_formula_sum   'Mn1 Al2 P1'
_cell_volume   51.1
_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  Mn0  1  0.95  0.0  0.53  1.0
  Al  Al1  1  0.51  0.61  0.76  1.0
  Al  Al2  1  0.53  0.61  0.29  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Mn Al Al P
Mn Al Al P 0 1 o - o 0 1 o o o 0 1 + - o 0 2 o - o 0 2 o o o 0 2 + - o 0 3 + o o 0 3 + o + 1 3 o + o 1 3 + o o 1 3 + + o 1 2 o o - 1 2 o o o 2 3 o o + 2 3 o + + 2 3 + o + 2 3 + + + 
MnAl2P is Titanium Disilicide-derived structured and crystallizes in the triclinic P1 space group. Mn(1) is bonded in a 10-coordinate geometry to four equivalent Al(1), four equivalent Al(2), and two equivalent P(1) atoms. There are a spread of Mn(1)-Al(1) bond distances ranging from 2.16-2.95 Å. There are a spread of Mn(1)-Al(2) bond distances ranging from 2.23-2.88 Å. There is one shorter (2.39 Å) and one longer (2.68 Å) Mn(1)-P(1) bond length. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 3-coordinate geometry to four equivalent Mn(1), two equivalent Al(2), and four equivalent P(1) atoms. There is one shorter (2.39 Å) and one longer (2.67 Å) Al(1)-Al(2) bond length. There are a spread of Al(1)-P(1) bond distances ranging from 2.46-2.95 Å. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to four equivalent Mn(1), two equivalent Al(1), and four equivalent P(1) atoms. There are a spread of Al(2)-P(1) bond distances ranging from 2.31-2.81 Å. P(1) is bonded in a 10-coordinate geometry to two equivalent Mn(1), four equivalent Al(1), and four equivalent Al(2) atoms.