data_Mg2MoP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   30.29
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MoP
_chemical_formula_sum   'Mg2 Mo1 P1'
_cell_volume   68.16
_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  0.21  0.0  0.58  1.0
  Mg  Mg1  1  0.0  0.0  0.48  1.0
  Mo  Mo2  1  0.21  0.0  0.44  1.0
  P  P3  1  0.0  0.0  0.54  1.0

data_Mg2MoP
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.42
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   105.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MoP
_chemical_formula_sum   'Mg2 Mo1 P1'
_cell_volume   68.16
_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  0.42  0.21  0.42  1.0
  Mg  Mg1  1  0.52  0.0  0.52  1.0
  Mo  Mo2  1  0.56  0.21  0.56  1.0
  P  P3  1  0.46  0.0  0.46  1.0

Mg Mg Mo P
Mg2MoP crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mg2MoP cluster. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to one Mo(1) and one P(1) atom. The Mg(1)-Mo(1) bond length is 0.78 Å. The Mg(1)-P(1) bond length is 0.94 Å. In the second Mg site, Mg(2) is bonded in a distorted single-bond geometry to one Mo(1) and one P(1) atom. The Mg(2)-Mo(1) bond length is 0.95 Å. The Mg(2)-P(1) bond length is 0.34 Å. Mo(1) is bonded in a 2-coordinate geometry to one Mg(1) and one Mg(2) atom. P(1) is bonded in a distorted single-bond geometry to one Mg(1) and one Mg(2) atom.