data_LiNbCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   145.43
_cell_angle_beta   131.01
_cell_angle_gamma   61.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbCo
_chemical_formula_sum   'Li1 Nb1 Co1'
_cell_volume   40.25
_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  0.0  0.0  0.68  1.0
  Nb  Nb2  1  0.0  0.0  0.2  1.0
  Co  Co0  1  0.0  0.0  0.81  1.0

data_LiNbCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   3.78
_cell_length_c   4.56
_cell_angle_alpha   114.49
_cell_angle_beta   107.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbCo
_chemical_formula_sum   'Li1 Nb1 Co1'
_cell_volume   40.25
_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  0.68  0.68  1.0
  Nb  Nb1  1  0.0  0.2  0.2  1.0
  Co  Co2  1  0.0  0.81  0.81  1.0

Li Nb Co