data_Co2MoP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92
_cell_length_b   7.92
_cell_length_c   7.92
_cell_angle_alpha   19.54
_cell_angle_beta   19.54
_cell_angle_gamma   19.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2MoP
_chemical_formula_sum   'Co2 Mo1 P1'
_cell_volume   48.69
_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
  Co  Co0  1  0.0  0.0  0.23  1.0
  Co  Co1  1  0.0  0.0  0.08  1.0
  Mo  Mo2  1  0.0  0.0  0.66  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Co2MoP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   2.69
_cell_length_c   7.92
_cell_angle_alpha   90.0
_cell_angle_beta   101.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Co2MoP
_chemical_formula_sum   'Co4 Mo2 P2'
_cell_volume   97.38
_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
  Co  Co0  2  0.0  0.0  0.77  1.0
  Co  Co1  2  0.0  0.0  0.92  1.0
  Mo  Mo2  2  0.0  0.0  0.34  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Co Co Mo P
Co Co Mo P 0 1 o o o 1 3 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o + 
MoCo2P crystallizes in the monoclinic Cm space group. Mo(1) is bonded to six equivalent Mo(1), one Co(1), and one P(1) atom to form a mixture of corner and edge-sharing MoCoMo6P hexagonal bipyramids. All Mo(1)-Mo(1) bond lengths are 2.69 Å. The Mo(1)-Co(1) bond length is 3.37 Å. The Mo(1)-P(1) bond length is 2.73 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one Mo(1) and one Co(2) atom. The Co(1)-Co(2) bond length is 1.19 Å. In the second Co site, Co(2) is bonded in a distorted single-bond geometry to one Co(1) and one P(1) atom. The Co(2)-P(1) bond length is 0.64 Å. P(1) is bonded in a single-bond geometry to one Mo(1) and one Co(2) atom.