data_CrOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   4.6
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   91.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrOF
_chemical_formula_sum   'Cr4 O4 F4'
_cell_volume   132.56
_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  0.87  0.23  0.65  1.0
  Cr  Cr1  1  0.03  0.53  0.79  1.0
  Cr  Cr2  1  0.95  0.07  0.84  1.0
  Cr  Cr3  1  0.1  0.37  0.97  1.0
  O  O4  1  0.66  0.27  0.17  1.0
  O  O5  1  0.58  0.03  0.98  1.0
  O  O6  1  0.4  0.57  0.64  1.0
  O  O7  1  0.32  0.33  0.46  1.0
  F  F8  1  0.91  0.41  0.18  1.0
  F  F9  1  0.84  0.49  0.99  1.0
  F  F10  1  0.14  0.11  0.63  1.0
  F  F11  1  0.07  0.19  0.44  1.0

data_CrOF
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.6
_cell_length_b   5.12
_cell_length_c   5.63
_cell_angle_alpha   91.47
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CrOF
_chemical_formula_sum   'Cr4 O4 F4'
_cell_volume   132.56
_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  0.27  0.96  0.03  1.0
  Cr  Cr1  2  0.43  0.89  0.84  1.0
  O  O2  2  0.23  0.59  0.17  1.0
  O  O3  2  0.47  0.67  0.36  1.0
  F  F4  2  0.31  0.15  0.82  1.0
  F  F5  2  0.39  0.08  0.63  1.0

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