data_MgMn2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   3.8
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   104.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMn2P
_chemical_formula_sum   'Mg1 Mn2 P1'
_cell_volume   59.0
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.54  0.9  0.49  1.0
  Mn  Mn2  1  0.1  0.9  0.75  1.0
  P  P3  1  0.34  0.0  0.62  1.0

data_MgMn2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   3.8
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   104.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMn2P
_chemical_formula_sum   'Mg1 Mn2 P1'
_cell_volume   59.0
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.1  0.9  0.75  1.0
  Mn  Mn2  1  0.54  0.9  0.49  1.0
  P  P3  1  0.34  0.0  0.62  1.0

Mg Mn Mn P
Mg Mn Mn P 0 2 o - - 1 3 o + o 2 3 o + o 
MgMn2P crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgMn2P cluster. Mg(1) is bonded in a distorted single-bond geometry to one Mn(2) atom. The Mg(1)-Mn(2) bond length is 1.48 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to one P(1) atom. The Mn(1)-P(1) bond length is 1.11 Å. In the second Mn site, Mn(2) is bonded in a 2-coordinate geometry to one Mg(1) and one P(1) atom. The Mn(2)-P(1) bond length is 1.19 Å. P(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(2) atom.