data_Li2CoOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   12.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CoOF2
_chemical_formula_sum   'Li4 Co2 O2 F4'
_cell_volume   110.57
_cell_formula_units_Z   2
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  0.49  0.03  1.0
  Li  Li1  1  0.49  0.0  0.37  1.0
  Li  Li2  1  0.0  0.49  0.41  1.0
  Li  Li3  1  0.49  0.0  0.99  1.0
  Co  Co4  1  0.49  0.0  0.2  1.0
  Co  Co5  1  0.0  0.49  0.2  1.0
  O  O6  1  0.0  0.49  0.1  1.0
  O  O7  1  0.49  0.0  0.3  1.0
  F  F8  1  0.49  0.0  0.98  1.0
  F  F9  1  0.0  0.49  0.42  1.0
  F  F10  1  0.49  0.0  0.4  1.0
  F  F11  1  0.0  0.49  0.0  1.0

data_Li2CoOF2
_symmetry_space_group_name_H-M   P4/nmm
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   12.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   129
_chemical_formula_structural   Li2CoOF2
_chemical_formula_sum   'Li4 Co2 O2 F4'
_cell_volume   110.57
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y+1/2, x+1/2, z'
  3  '-x, -y, z'
  4  'y+1/2, -x+1/2, z'
  5  'x+1/2, -y+1/2, -z'
  6  '-y, -x, -z'
  7  '-x+1/2, y+1/2, -z'
  8  'y, x, -z'
  9  '-x+1/2, -y+1/2, -z'
  10  'y, -x, -z'
  11  'x+1/2, y+1/2, -z'
  12  '-y, x, -z'
  13  '-x, y, z'
  14  'y+1/2, x+1/2, z'
  15  'x, -y, z'
  16  '-y+1/2, -x+1/2, 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  2  0.0  0.5  0.17  1.0
  Li  Li1  2  0.0  0.5  0.79  1.0
  Co  Co2  2  0.0  0.5  0.0  1.0
  O  O3  2  0.0  0.5  0.1  1.0
  F  F4  2  0.0  0.5  0.2  1.0
  F  F5  2  0.0  0.5  0.78  1.0

Li Li Li Li Co Co O O F F F F
Li Li Li Li Co Co O O F F F F 0 11 o o o 0 6 o o o 1 10 o o o 1 7 o o o 2 9 o o o 3 8 o o o 4 7 o o o 5 6 o o o 