data_LiV2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   2.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiV2P
_chemical_formula_sum   'Li1 V2 P1'
_cell_volume   48.68
_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  Li0  1  0.0  0.0  0.0  1.0
  V  V2  1  0.27  0.35  0.45  1.0
  V  V3  1  0.27  0.65  0.45  1.0
  P  P1  1  0.54  0.0  0.0  1.0

data_LiV2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.16
_cell_length_c   4.16
_cell_angle_alpha   104.81
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiV2P
_chemical_formula_sum   'Li1 V2 P1'
_cell_volume   48.68
_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  Li0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.45  0.27  0.35  1.0
  V  V2  1  0.45  0.27  0.65  1.0
  P  P3  1  -0.0  0.54  0.0  1.0

Li V V P
Li V V P 0 3 - o o 0 3 o o o 0 2 o - o 0 1 o o - 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o + + 2 3 o + o 
LiV2P crystallizes in the triclinic P1 space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent V(1), two equivalent V(2), and two equivalent P(1) atoms. There is one shorter (2.07 Å) and one longer (2.25 Å) Li(1)-V(1) bond length. There is one shorter (2.44 Å) and one longer (2.60 Å) Li(1)-V(2) bond length. There is one shorter (1.92 Å) and one longer (2.25 Å) Li(1)-P(1) bond length. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), one V(2), and two equivalent P(1) atoms. The V(1)-V(2) bond length is 1.24 Å. There is one shorter (2.44 Å) and one longer (2.60 Å) V(1)-P(1) bond length. In the second V site, V(2) is bonded in a 5-coordinate geometry to two equivalent Li(1), one V(1), and two equivalent P(1) atoms. There is one shorter (2.07 Å) and one longer (2.25 Å) V(2)-P(1) bond length. P(1) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent V(1), and two equivalent V(2) atoms.