data_MgMo2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   6.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMo2P
_chemical_formula_sum   'Mg1 Mo2 P1'
_cell_volume   64.1
_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  0.53  0.53  0.11  1.0
  Mo  Mo2  1  0.53  0.53  0.71  1.0
  P  P3  1  0.0  0.0  0.41  1.0

data_MgMo2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   6.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgMo2P
_chemical_formula_sum   'Mg2 Mo4 P2'
_cell_volume   128.2
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Mo  Mo1  2  0.03  0.5  0.11  1.0
  Mo  Mo2  2  0.03  0.5  0.71  1.0
  P  P3  2  0.0  0.0  0.41  1.0

Mg Mo Mo P
Mg Mo Mo P 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 2 o o - 0 2 o - - 0 2 - o - 0 2 - - - 0 3 o o o 1 2 o o - 1 3 + + o 1 3 + o o 1 3 o + o 1 3 o o o 2 3 o o o 2 3 o + o 2 3 + o o 2 3 + + o 2 2 + o o 2 2 o + o 3 3 + o o 3 3 o + o 
MgMo2P crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 4-coordinate geometry to four equivalent Mo(1), four equivalent Mo(2), and one P(1) atom. There are a spread of Mg(1)-Mo(1) bond distances ranging from 2.16-2.42 Å. There are a spread of Mg(1)-Mo(2) bond distances ranging from 2.81-3.02 Å. The Mg(1)-P(1) bond length is 2.81 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to four equivalent Mg(1), one Mo(2), and four equivalent P(1) atoms. The Mo(1)-Mo(2) bond length is 2.69 Å. There are a spread of Mo(1)-P(1) bond distances ranging from 2.90-3.10 Å. In the second Mo site, Mo(2) is bonded in a 13-coordinate geometry to four equivalent Mg(1), one Mo(1), four equivalent Mo(2), and four equivalent P(1) atoms. All Mo(2)-Mo(2) bond lengths are 3.06 Å. There are a spread of Mo(2)-P(1) bond distances ranging from 2.90-3.10 Å. P(1) is bonded in a 9-coordinate geometry to one Mg(1), four equivalent Mo(1), and four equivalent Mo(2) atoms.