data_GaMo2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.2
_cell_length_b   8.2
_cell_length_c   8.2
_cell_angle_alpha   20.73
_cell_angle_beta   20.73
_cell_angle_gamma   20.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaMo2P
_chemical_formula_sum   'Ga1 Mo2 P1'
_cell_volume   60.45
_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
  Ga  Ga0  1  0.0  0.0  0.03  1.0
  Mo  Mo1  1  0.0  0.0  0.87  1.0
  Mo  Mo2  1  0.0  0.0  0.19  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_GaMo2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   2.95
_cell_length_c   8.2
_cell_angle_alpha   90.0
_cell_angle_beta   101.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaMo2P
_chemical_formula_sum   'Ga2 Mo4 P2'
_cell_volume   120.9
_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
  Ga  Ga0  2  0.0  0.0  0.97  1.0
  Mo  Mo1  2  0.0  0.0  0.13  1.0
  Mo  Mo2  2  0.0  0.0  0.81  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Ga Mo Mo P
Ga Mo Mo P 0 3 o o o 0 2 o o o 1 3 o o + 2 3 o o o 
Mo2GaP crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mo2GaP clusters. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a single-bond geometry to one P(1) atom. The Mo(1)-P(1) bond length is 1.08 Å. In the second Mo site, Mo(2) is bonded in a single-bond geometry to one Ga(1) atom. The Mo(2)-Ga(1) bond length is 1.33 Å. Ga(1) is bonded in a distorted linear geometry to one Mo(2) and one P(1) atom. The Ga(1)-P(1) bond length is 0.25 Å. P(1) is bonded in a distorted single-bond geometry to one Mo(1) and one Ga(1) atom.