data_Cr(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   4.66
_cell_length_c   8.78
_cell_angle_alpha   90.0
_cell_angle_beta   93.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr(OF)2
_chemical_formula_sum   'Cr4 O8 F8'
_cell_volume   221.5
_cell_formula_units_Z   4
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
  Cr  Cr0  1  0.35  0.59  0.49  1.0
  Cr  Cr1  1  0.37  0.26  0.66  1.0
  Cr  Cr2  1  0.59  0.4  0.11  1.0
  Cr  Cr3  1  0.6  0.07  0.27  1.0
  O  O12  1  0.74  0.91  0.9  1.0
  O  O13  1  0.12  0.76  0.03  1.0
  O  O14  1  0.6  0.09  0.12  1.0
  O  O15  1  0.98  0.58  0.25  1.0
  O  O16  1  0.97  0.08  0.51  1.0
  O  O17  1  0.36  0.57  0.64  1.0
  O  O18  1  0.83  0.9  0.74  1.0
  O  O19  1  0.22  0.75  0.87  1.0
  F  F4  1  0.34  0.02  0.83  1.0
  F  F5  1  0.67  0.86  0.12  1.0
  F  F6  1  0.05  0.19  0.03  1.0
  F  F7  1  0.38  0.69  0.32  1.0
  F  F8  1  0.58  0.97  0.45  1.0
  F  F9  1  0.9  0.47  0.73  1.0
  F  F10  1  0.29  0.81  0.65  1.0
  F  F11  1  0.61  0.64  0.93  1.0

data_Cr(OF)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.66
_cell_length_b   5.42
_cell_length_c   8.78
_cell_angle_alpha   93.06
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cr(OF)2
_chemical_formula_sum   'Cr4 O8 F8'
_cell_volume   221.5
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Cr  Cr0  2  0.24  0.62  0.39  1.0
  Cr  Cr1  2  0.43  0.39  0.77  1.0
  O  O2  2  0.07  0.85  0.86  1.0
  O  O3  2  0.08  0.76  0.01  1.0
  O  O4  2  0.25  1.0  0.63  1.0
  O  O5  2  0.26  0.62  0.24  1.0
  F  F6  2  0.03  0.69  0.23  1.0
  F  F7  2  0.14  0.6  0.57  1.0
  F  F8  2  0.19  0.36  0.95  1.0
  F  F9  2  0.36  0.08  0.15  1.0

Cr Cr Cr Cr O O O O O O O O F F F F F F F F