data_MgMo2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMo2P
_chemical_formula_sum   'Mg1 Mo2 P1'
_cell_volume   64.51
_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
  Mo  Mo1  1  0.67  0.0  0.36  1.0
  Mo  Mo2  1  0.67  0.0  0.7  1.0
  P  P3  1  0.0  0.0  0.03  1.0

data_MgMo2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMo2P
_chemical_formula_sum   'Mg1 Mo2 P1'
_cell_volume   64.51
_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
  Mo  Mo1  1  0.67  0.0  0.36  1.0
  Mo  Mo2  1  0.67  0.0  0.7  1.0
  P  P3  1  0.0  0.0  0.03  1.0

Mg Mo Mo P
MgMo2P crystallizes in the triclinic P1 space group. Mg(1) is bonded in a single-bond geometry to one Mo(2) and one P(1) atom. The Mg(1)-Mo(2) bond length is 2.63 Å. The Mg(1)-P(1) bond length is 0.25 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one Mo(2), four equivalent Mo(1), and one P(1) atom. The Mo(1)-Mo(2) bond length is 2.68 Å. All Mo(1)-Mo(1) bond lengths are 2.92 Å. The Mo(1)-P(1) bond length is 2.86 Å. In the second Mo site, Mo(2) is bonded in a distorted single-bond geometry to one Mg(1) and one Mo(1) atom. P(1) is bonded in a single-bond geometry to one Mg(1) and one Mo(1) atom.