data_Mn3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3P
_chemical_formula_sum   'Mn3 P1'
_cell_volume   42.74
_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  0.85  0.0  0.64  1.0
  Mn  Mn1  1  0.0  0.0  0.99  1.0
  Mn  Mn2  1  0.85  0.0  0.34  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Mn3P
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Mn3P
_chemical_formula_sum   'Mn3 P1'
_cell_volume   42.77
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.99  1.0
  Mn  Mn1  1  0.85  0.0  0.34  1.0
  Mn  Mn2  1  0.85  0.0  0.64  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Mn Mn Mn P
Mn Mn Mn P 0 2 o o o 1 3 o o + 1 2 - o + 2 3 + o o 
Mn3P crystallizes in the monoclinic Pm space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one Mn(2), one Mn(3), and four equivalent Mn(1) atoms. The Mn(1)-Mn(2) bond length is 2.15 Å. The Mn(1)-Mn(3) bond length is 1.75 Å. All Mn(1)-Mn(1) bond lengths are 2.67 Å. In the second Mn site, Mn(2) is bonded in a single-bond geometry to one Mn(1) and one P(1) atom. The Mn(2)-P(1) bond length is 0.06 Å. In the third Mn site, Mn(3) is bonded in a 2-coordinate geometry to one Mn(1) and one P(1) atom. The Mn(3)-P(1) bond length is 2.09 Å. P(1) is bonded in a single-bond geometry to one Mn(2) and one Mn(3) atom.