data_CrHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   6.11
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   111.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrHO2
_chemical_formula_sum   'Cr4 H4 O8'
_cell_volume   145.88
_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  0.51  0.35  0.27  1.0
  Cr  Cr1  1  0.54  0.82  0.73  1.0
  Cr  Cr2  1  0.35  0.29  0.2  1.0
  Cr  Cr3  1  0.39  0.77  0.67  1.0
  H  H4  1  0.08  0.82  0.31  1.0
  H  H5  1  0.82  0.3  0.62  1.0
  H  H6  1  0.79  0.76  0.16  1.0
  H  H7  1  0.11  0.35  0.77  1.0
  O  O8  1  0.78  0.34  0.25  1.0
  O  O9  1  0.08  0.81  0.69  1.0
  O  O10  1  0.75  0.83  0.78  1.0
  O  O11  1  0.15  0.29  0.15  1.0
  O  O12  1  0.82  0.3  0.24  1.0
  O  O13  1  0.12  0.77  0.68  1.0
  O  O14  1  0.79  0.75  0.77  1.0
  O  O15  1  0.11  0.36  0.16  1.0

data_CrHO2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.84
_cell_length_b   5.3
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.46
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CrHO2
_chemical_formula_sum   'Cr4 H4 O8'
_cell_volume   145.88
_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  0.41  0.23  0.73  1.0
  Cr  Cr1  2  0.44  0.7  0.21  1.0
  H  H2  2  0.13  0.34  0.26  1.0
  H  H3  2  0.16  0.81  0.8  1.0
  O  O4  2  0.13  0.73  0.25  1.0
  O  O5  2  0.16  0.19  0.8  1.0
  O  O6  2  0.17  0.72  0.21  1.0
  O  O7  2  0.2  0.18  0.73  1.0

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