data_Li2NbCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   3.32
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   94.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbCo
_chemical_formula_sum   'Li2 Nb1 Co1'
_cell_volume   61.99
_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  0.33  0.66  0.24  1.0
  Li  Li2  1  0.3  0.0  0.49  1.0
  Nb  Nb3  1  0.77  0.66  0.47  1.0
  Co  Co0  1  0.22  0.0  0.52  1.0

data_Li2NbCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   3.32
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   94.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbCo
_chemical_formula_sum   'Li2 Nb1 Co1'
_cell_volume   61.99
_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  0.3  0.0  0.49  1.0
  Li  Li1  1  0.33  0.66  0.24  1.0
  Nb  Nb2  1  0.77  0.66  0.47  1.0
  Co  Co3  1  0.22  0.0  0.52  1.0

Li Li Nb Co
Li Li Nb Co 0 3 o + o 0 1 o + o 0 2 - o o 0 2 o o o 1 3 o o o 1 2 o - o 1 2 - - o 2 3 o + o 2 3 + + o 