data_Sr4CoP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   6.39
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4CoP
_chemical_formula_sum   'Sr4 Co1 P1'
_cell_volume   184.76
_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
  Sr  Sr2  1  0.66  0.66  0.38  1.0
  Sr  Sr3  1  0.66  0.38  0.66  1.0
  Sr  Sr4  1  0.38  0.66  0.66  1.0
  Sr  Sr5  1  0.38  0.38  0.38  1.0
  Co  Co0  1  0.78  0.78  0.78  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Sr4CoP
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   15.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr4CoP
_chemical_formula_sum   'Sr12 Co3 P3'
_cell_volume   554.28
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Sr  Sr0  9  0.18  0.09  0.43  1.0
  Sr  Sr1  3  0.0  0.0  0.62  1.0
  Co  Co2  3  0.0  0.0  0.22  1.0
  P  P3  3  0.0  0.0  -0.0  1.0

Sr Sr Sr Sr Co P
Sr4CoP crystallizes in the trigonal R3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), two equivalent Co(1), and one P(1) atom. The Sr(1)-Sr(2) bond length is 3.03 Å. Both Sr(1)-Sr(1) bond lengths are 1.75 Å. There is one shorter (3.26 Å) and one longer (3.51 Å) Sr(1)-Co(1) bond length. The Sr(1)-P(1) bond length is 3.11 Å. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to three equivalent Sr(1), three equivalent Co(1), and three equivalent P(1) atoms. All Sr(2)-Co(1) bond lengths are 3.82 Å. All Sr(2)-P(1) bond lengths are 3.77 Å. Co(1) is bonded in a 9-coordinate geometry to three equivalent Sr(2) and six equivalent Sr(1) atoms. P(1) is bonded in a 3-coordinate geometry to three equivalent Sr(1) and three equivalent Sr(2) atoms.