data_CoSiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSiP
_chemical_formula_sum   'Co2 Si2 P2'
_cell_volume   83.99
_cell_formula_units_Z   2
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  0.15  0.0  0.71  1.0
  Co  Co1  1  0.0  0.15  0.85  1.0
  Si  Si4  1  0.15  0.0  0.49  1.0
  Si  Si5  1  0.0  0.15  0.07  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.15  0.15  0.0  1.0

data_CoSiP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoSiP
_chemical_formula_sum   'Co4 Si4 P4'
_cell_volume   167.98
_cell_formula_units_Z   4
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  0.85  1.0
  Co  Co1  2  0.15  0.0  0.71  1.0
  Si  Si2  2  0.0  0.0  0.07  1.0
  Si  Si3  2  0.15  0.0  0.49  1.0
  P  P4  4  0.07  0.07  0.0  1.0

Co Co Si Si P P
Co Co Si Si P P 0 1 o o o 0 2 o o o 1 4 o o + 1 5 o o + 1 3 o o + 3 4 o o o 3 5 o o o 
CoSiP is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CoSiP clusters. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to one Co(2), one Si(1), and two equivalent P(1) atoms. The Co(1)-Co(2) bond length is 1.09 Å. The Co(1)-Si(1) bond length is 1.02 Å. Both Co(1)-P(1) bond lengths are 1.46 Å. In the second Co site, Co(2) is bonded in a 3-coordinate geometry to one Co(1) and two equivalent P(1) atoms. Both Co(2)-P(1) bond lengths are 0.93 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted single-bond geometry to one Co(1) atom. In the second Si site, Si(2) is bonded in a distorted L-shaped geometry to two equivalent P(1) atoms. Both Si(2)-P(1) bond lengths are 0.71 Å. P(1) is bonded in a 2-coordinate geometry to one Co(1), one Co(2), and one Si(2) atom.