data_LiVCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.49
_cell_length_b   2.49
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVCo2
_chemical_formula_sum   'Li1 V1 Co2'
_cell_volume   47.76
_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
  Li  Li2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.09  1.0
  Co  Co0  1  0.44  0.0  0.05  1.0
  Co  Co1  1  0.44  0.0  0.12  1.0

data_LiVCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.49
_cell_length_b   2.49
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVCo2
_chemical_formula_sum   'Li1 V1 Co2'
_cell_volume   47.76
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.0  0.0  0.09  1.0
  Co  Co2  1  0.44  0.0  0.05  1.0
  Co  Co3  1  0.44  0.0  0.12  1.0

Li V Co Co
Li V Co Co 0 1 o o o 2 3 o o o 