data_Co6O5F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   6.94
_cell_angle_alpha   105.93
_cell_angle_beta   105.93
_cell_angle_gamma   76.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co6O5F7
_chemical_formula_sum   'Co6 O5 F7'
_cell_volume   193.56
_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
  Co  Co0  1  0.14  0.87  0.25  1.0
  Co  Co1  1  0.36  0.61  0.0  1.0
  Co  Co2  1  0.88  0.9  0.27  1.0
  Co  Co3  1  0.25  0.33  0.09  1.0
  Co  Co4  1  0.04  0.33  0.42  1.0
  Co  Co5  1  0.4  0.9  0.24  1.0
  O  O6  1  0.79  0.82  0.53  1.0
  O  O7  1  0.97  0.32  0.39  1.0
  O  O8  1  0.5  0.82  0.98  1.0
  O  O9  1  0.31  0.32  0.12  1.0
  O  O10  1  0.36  0.68  0.0  1.0
  F  F11  1  0.36  0.97  0.0  1.0
  F  F12  1  0.95  0.02  0.43  1.0
  F  F13  1  0.39  0.88  0.23  1.0
  F  F14  1  0.9  0.88  0.27  1.0
  F  F15  1  0.28  0.17  0.41  1.0
  F  F16  1  0.0  0.17  0.1  1.0
  F  F17  1  0.34  0.02  0.08  1.0

data_Co6O5F7
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   6.94
_cell_angle_alpha   74.07
_cell_angle_beta   74.07
_cell_angle_gamma   76.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co6O5F7
_chemical_formula_sum   'Co6 O5 F7'
_cell_volume   193.56
_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
  Co  Co0  1  0.12  0.1  0.27  1.0
  Co  Co1  1  0.6  0.1  0.24  1.0
  Co  Co2  1  0.64  0.39  0.0  1.0
  Co  Co3  1  0.75  0.67  0.09  1.0
  Co  Co4  1  0.86  0.13  0.25  1.0
  Co  Co5  1  0.96  0.67  0.42  1.0
  O  O6  1  0.03  0.68  0.39  1.0
  O  O7  1  0.21  0.18  0.53  1.0
  O  O8  1  0.5  0.18  0.98  1.0
  O  O9  1  0.64  0.32  0.0  1.0
  O  O10  1  0.69  0.68  0.12  1.0
  F  F11  1  0.05  0.98  0.43  1.0
  F  F12  1  0.1  0.12  0.27  1.0
  F  F13  1  0.61  0.12  0.23  1.0
  F  F14  1  0.64  0.03  0.0  1.0
  F  F15  1  0.66  0.98  0.08  1.0
  F  F16  1  0.72  0.83  0.41  1.0
  F  F17  1  1.0  0.83  0.1  1.0

Co Co Co Co Co Co O O O O O F F F F F F F