data_Co3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   7.28
_cell_angle_alpha   105.84
_cell_angle_beta   105.84
_cell_angle_gamma   73.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3OF5
_chemical_formula_sum   'Co6 O2 F10'
_cell_volume   212.34
_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
  Co  Co0  1  0.8  0.0  0.02  1.0
  Co  Co1  1  0.37  0.0  0.65  1.0
  Co  Co2  1  0.26  0.0  0.2  1.0
  Co  Co3  1  0.83  0.0  0.82  1.0
  Co  Co4  1  0.76  0.0  0.42  1.0
  Co  Co5  1  0.0  0.0  0.0  1.0
  O  O6  1  0.03  0.0  0.2  1.0
  O  O7  1  0.61  0.0  0.65  1.0
  F  F8  1  0.45  0.93  0.56  1.0
  F  F9  1  0.19  0.93  0.29  1.0
  F  F10  1  0.31  0.0  0.5  1.0
  F  F11  1  0.45  0.0  0.81  1.0
  F  F12  1  0.33  0.0  0.35  1.0
  F  F13  1  0.19  0.0  0.04  1.0
  F  F14  1  0.45  0.07  0.56  1.0
  F  F15  1  0.19  0.07  0.29  1.0
  F  F16  1  0.56  0.7  0.0  1.0
  F  F17  1  0.56  0.3  0.0  1.0

data_Co3OF5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   7.28
_cell_angle_alpha   74.16
_cell_angle_beta   74.16
_cell_angle_gamma   73.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3OF5
_chemical_formula_sum   'Co6 O2 F10'
_cell_volume   212.34
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.17  0.0  0.82  1.0
  Co  Co2  1  0.2  0.0  0.02  1.0
  Co  Co3  1  0.24  0.0  0.42  1.0
  Co  Co4  1  0.63  0.0  0.65  1.0
  Co  Co5  1  0.74  0.0  0.2  1.0
  O  O6  1  0.39  0.0  0.65  1.0
  O  O7  1  0.97  0.0  0.2  1.0
  F  F8  1  0.44  0.3  0.0  1.0
  F  F9  1  0.44  0.7  0.0  1.0
  F  F10  1  0.55  0.0  0.81  1.0
  F  F11  1  0.55  0.07  0.56  1.0
  F  F12  1  0.55  0.93  0.56  1.0
  F  F13  1  0.67  0.0  0.35  1.0
  F  F14  1  0.69  0.0  0.5  1.0
  F  F15  1  0.81  0.07  0.29  1.0
  F  F16  1  0.81  0.93  0.29  1.0
  F  F17  1  0.81  0.0  0.04  1.0

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