data_Li2CoP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   3.97
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CoP
_chemical_formula_sum   'Li2 Co1 P1'
_cell_volume   44.12
_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
  Li  Li1  1  0.21  0.21  0.21  1.0
  Li  Li2  1  0.4  0.4  0.4  1.0
  Co  Co0  1  0.8  0.8  0.8  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Li2CoP
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   9.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Li2CoP
_chemical_formula_sum   'Li6 Co3 P3'
_cell_volume   132.35
_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
  Li  Li0  3  0.0  0.0  0.6  1.0
  Li  Li1  3  0.0  0.0  0.79  1.0
  Co  Co2  3  0.0  0.0  0.2  1.0
  P  P3  3  0.0  0.0  0.0  1.0

Li Li Co P
Li2CoP crystallizes in the trigonal R3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 1-coordinate geometry to one Li(2), three equivalent Co(1), and one P(1) atom. The Li(1)-Li(2) bond length is 1.90 Å. All Li(1)-Co(1) bond lengths are 2.39 Å. The Li(1)-P(1) bond length is 2.01 Å. In the second Li site, Li(2) is bonded in a 7-coordinate geometry to one Li(1), three equivalent Co(1), and three equivalent P(1) atoms. All Li(2)-Co(1) bond lengths are 2.39 Å. All Li(2)-P(1) bond lengths are 2.39 Å. Co(1) is bonded in a 7-coordinate geometry to three equivalent Li(1), three equivalent Li(2), and one P(1) atom. The Co(1)-P(1) bond length is 1.90 Å. P(1) is bonded in a 5-coordinate geometry to one Li(1), three equivalent Li(2), and one Co(1) atom.