data_Li2FeCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.51
_cell_length_b   2.51
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeCo
_chemical_formula_sum   'Li2 Fe1 Co1'
_cell_volume   51.8
_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  0.42  0.0  0.17  1.0
  Li  Li3  1  0.0  0.0  0.41  1.0
  Fe  Fe1  1  0.0  0.0  0.38  1.0
  Co  Co0  1  0.42  0.0  0.29  1.0

data_Li2FeCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.51
_cell_length_b   2.51
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeCo
_chemical_formula_sum   'Li2 Fe1 Co1'
_cell_volume   51.8
_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  0.41  1.0
  Li  Li1  1  0.42  0.0  0.17  1.0
  Fe  Fe2  1  0.0  0.0  0.38  1.0
  Co  Co3  1  0.42  0.0  0.29  1.0

Li Li Fe Co
Li Li Fe Co 0 3 o o o 1 2 o o o 2 3 o o o 