data_CrFe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   9.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   138.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFe2O5
_chemical_formula_sum   'Cr2 Fe4 O10'
_cell_volume   185.78
_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
  Cr  Cr0  1  0.89  0.86  0.42  1.0
  Cr  Cr1  1  0.89  0.14  0.47  1.0
  Fe  Fe2  1  0.89  0.41  0.62  1.0
  Fe  Fe3  1  0.89  0.41  0.33  1.0
  Fe  Fe4  1  0.89  0.59  0.28  1.0
  Fe  Fe5  1  0.89  0.59  0.56  1.0
  O  O6  1  0.89  0.06  0.07  1.0
  O  O7  1  0.89  0.06  0.77  1.0
  O  O8  1  0.89  0.52  0.12  1.0
  O  O9  1  0.89  0.52  0.72  1.0
  O  O10  1  0.89  0.53  0.47  1.0
  O  O11  1  0.89  0.47  0.42  1.0
  O  O12  1  0.89  0.48  0.17  1.0
  O  O13  1  0.89  0.94  0.82  1.0
  O  O14  1  0.89  0.94  0.13  1.0
  O  O15  1  0.89  0.48  0.78  1.0

data_CrFe2O5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.78
_cell_length_b   5.32
_cell_length_c   9.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.79
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CrFe2O5
_chemical_formula_sum   'Cr2 Fe4 O10'
_cell_volume   185.78
_cell_formula_units_Z   2
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  0.14  0.64  0.97  1.0
  Fe  Fe1  2  0.41  0.91  0.12  1.0
  Fe  Fe2  2  0.41  0.91  0.83  1.0
  O  O3  2  0.06  0.56  0.37  1.0
  O  O4  2  0.06  0.56  0.68  1.0
  O  O5  2  0.47  0.97  0.03  1.0
  O  O6  2  0.48  0.98  0.28  1.0
  O  O7  2  0.48  0.98  0.67  1.0

Cr Cr Fe Fe Fe Fe O O O O O O O O O O
Cr Cr Fe Fe Fe Fe O O O O O O O O O O 0 1 o + o 0 4 o o o 0 11 o o o 0 10 o o o 0 5 o o o 1 11 o o o 1 3 o o o 1 10 o o o 1 2 o o o 2 5 o o o 2 9 o o o 3 4 o o o 3 11 o o o 4 12 o o o 5 10 o o o 6 14 o - o 7 13 o - o 8 12 o o o 9 15 o o o 10 11 o o o 