data_HfMn2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   135.29
_cell_angle_beta   135.29
_cell_angle_gamma   65.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn2P
_chemical_formula_sum   'Hf1 Mn2 P1'
_cell_volume   54.73
_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
  Hf  Hf0  1  0.83  0.0  0.03  1.0
  Mn  Mn1  1  0.0  0.0  0.07  1.0
  Mn  Mn2  1  0.0  0.83  0.03  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_HfMn2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   4.82
_cell_angle_alpha   112.35
_cell_angle_beta   112.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn2P
_chemical_formula_sum   'Hf1 Mn2 P1'
_cell_volume   54.73
_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
  Hf  Hf0  1  0.97  0.0  0.8  1.0
  Mn  Mn1  1  0.8  0.83  0.8  1.0
  Mn  Mn2  1  0.93  0.0  0.93  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Hf Mn Mn P
HfMn2P crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfMn2P cluster. Hf(1) is bonded in a distorted single-bond geometry to one Mn(1) and one Mn(2) atom. The Hf(1)-Mn(1) bond length is 0.69 Å. The Hf(1)-Mn(2) bond length is 0.86 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 3-coordinate geometry to one Hf(1), one Mn(2), and one P(1) atom. The Mn(1)-Mn(2) bond length is 0.69 Å. The Mn(1)-P(1) bond length is 0.32 Å. In the second Mn site, Mn(2) is bonded in a 2-coordinate geometry to one Hf(1) and one Mn(1) atom. P(1) is bonded in a single-bond geometry to one Mn(1) atom.