data_Mg3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   116.76
_cell_angle_beta   116.76
_cell_angle_gamma   116.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3P
_chemical_formula_sum   'Mg3 P1'
_cell_volume   78.33
_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  0.73  0.01  1.0
  Mg  Mg1  1  0.36  0.63  0.01  1.0
  Mg  Mg2  1  0.64  0.63  0.01  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Mg3P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   116.76
_cell_angle_beta   100.49
_cell_angle_gamma   100.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3P
_chemical_formula_sum   'Mg3 P1'
_cell_volume   78.33
_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  0.01  0.38  0.38  1.0
  Mg  Mg1  1  0.01  0.65  0.38  1.0
  Mg  Mg2  1  0.01  0.01  0.28  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Mg Mg Mg P
Mg3P crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mg3P cluster. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to one Mg(3) and one P(1) atom. The Mg(1)-Mg(3) bond length is 1.85 Å. The Mg(1)-P(1) bond length is 1.52 Å. In the second Mg site, Mg(2) is bonded in a 1-coordinate geometry to one Mg(3) atom. The Mg(2)-Mg(3) bond length is 1.50 Å. In the third Mg site, Mg(3) is bonded in a 3-coordinate geometry to one Mg(1), one Mg(2), and one P(1) atom. The Mg(3)-P(1) bond length is 2.18 Å. P(1) is bonded in a distorted single-bond geometry to one Mg(1) and one Mg(3) atom.