data_LiCo5O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   15.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCo5O5F
_chemical_formula_sum   'Li1 Co5 O5 F1'
_cell_volume   147.14
_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  0.11  1.0
  Co  Co1  1  0.0  0.0  0.19  1.0
  Co  Co2  1  0.0  0.0  0.42  1.0
  Co  Co3  1  0.0  0.9  0.81  1.0
  Co  Co4  1  0.0  0.9  0.59  1.0
  Co  Co5  1  0.0  0.9  0.01  1.0
  O  O6  1  0.0  0.0  0.24  1.0
  O  O7  1  0.0  0.0  0.98  1.0
  O  O8  1  0.0  0.0  0.46  1.0
  O  O9  1  0.0  0.9  0.63  1.0
  O  O10  1  0.0  0.9  0.86  1.0
  F  F11  1  0.0  0.9  0.02  1.0

data_LiCo5O5F
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.29
_cell_length_b   5.7
_cell_length_c   15.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiCo5O5F
_chemical_formula_sum   'Li2 Co10 O10 F2'
_cell_volume   294.29
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+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  0.0  0.11  1.0
  Co  Co1  2  0.0  0.0  0.19  1.0
  Co  Co2  2  0.0  0.0  0.42  1.0
  Co  Co3  2  0.4  0.5  0.01  1.0
  Co  Co4  2  0.4  0.5  0.59  1.0
  Co  Co5  2  0.4  0.5  0.81  1.0
  O  O6  2  0.0  0.0  0.24  1.0
  O  O7  2  0.0  0.0  0.46  1.0
  O  O8  2  0.0  0.0  0.98  1.0
  O  O9  2  0.4  0.5  0.63  1.0
  O  O10  2  0.4  0.5  0.86  1.0
  F  F11  2  0.4  0.5  0.02  1.0

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