data_LiV2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   3.93
_cell_angle_alpha   111.24
_cell_angle_beta   111.24
_cell_angle_gamma   43.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiV2P
_chemical_formula_sum   'Li1 V2 P1'
_cell_volume   49.52
_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  0.46  0.0  0.97  1.0
  V  V2  1  0.19  0.0  0.02  1.0
  V  V3  1  0.92  0.0  0.83  1.0
  P  P1  1  0.96  0.0  0.6  1.0

data_LiV2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.93
_cell_length_c   4.48
_cell_angle_alpha   111.24
_cell_angle_beta   111.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiV2P
_chemical_formula_sum   'Li1 V2 P1'
_cell_volume   49.52
_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  0.97  0.46  1.0
  V  V1  1  0.0  0.02  0.19  1.0
  V  V2  1  0.0  0.83  0.92  1.0
  P  P3  1  0.0  0.6  0.96  1.0

Li V V P
Li V V P 0 1 o o + 1 2 - o - 2 3 o o o 