data_CoPH6NO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   8.88
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPH6NO5
_chemical_formula_sum   'Co2 P2 H12 N2 O10'
_cell_volume   242.16
_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  0.83  0.2  0.5  1.0
  Co  Co1  1  0.0  0.68  0.09  1.0
  P  P2  1  0.83  0.17  0.42  1.0
  P  P3  1  0.0  0.71  0.83  1.0
  H  H4  1  0.83  0.78  0.02  1.0
  H  H5  1  0.0  0.1  0.61  1.0
  H  H6  1  0.83  0.84  0.3  1.0
  H  H7  1  0.0  0.04  0.71  1.0
  H  H8  1  0.68  0.62  0.11  1.0
  H  H9  1  0.97  0.62  0.11  1.0
  H  H10  1  0.8  0.26  0.7  1.0
  H  H11  1  0.85  0.26  0.7  1.0
  H  H12  1  0.62  0.7  0.49  1.0
  H  H13  1  0.04  0.7  0.49  1.0
  H  H14  1  0.87  0.18  0.91  1.0
  H  H15  1  0.79  0.18  0.91  1.0
  N  N16  1  0.83  0.21  0.14  1.0
  N  N17  1  0.0  0.67  0.73  1.0
  O  O18  1  0.83  0.38  0.73  1.0
  O  O19  1  0.0  0.5  0.32  1.0
  O  O20  1  0.83  0.64  0.72  1.0
  O  O21  1  0.0  0.24  0.13  1.0
  O  O22  1  0.06  0.86  0.12  1.0
  O  O23  1  0.59  0.86  0.12  1.0
  O  O24  1  0.42  0.02  0.54  1.0
  O  O25  1  0.24  0.02  0.54  1.0
  O  O26  1  0.83  0.84  0.07  1.0
  O  O27  1  0.0  0.04  0.48  1.0

data_CoPH6NO5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.82
_cell_length_b   5.66
_cell_length_c   8.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPH6NO5
_chemical_formula_sum   'Co2 P2 H12 N2 O10'
_cell_volume   242.16
_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  0.09  0.0  0.68  1.0
  Co  Co1  1  0.5  0.83  0.2  1.0
  P  P2  1  0.42  0.83  0.17  1.0
  P  P3  1  0.83  0.0  0.71  1.0
  H  H4  1  0.02  0.83  0.78  1.0
  H  H5  1  0.11  0.68  0.62  1.0
  H  H6  1  0.11  0.97  0.62  1.0
  H  H7  1  0.3  0.83  0.84  1.0
  H  H8  1  0.49  0.04  0.7  1.0
  H  H9  1  0.49  0.62  0.7  1.0
  H  H10  1  0.61  0.0  0.1  1.0
  H  H11  1  0.7  0.8  0.26  1.0
  H  H12  1  0.7  0.85  0.26  1.0
  H  H13  1  0.71  0.0  0.04  1.0
  H  H14  1  0.91  0.79  0.18  1.0
  H  H15  1  0.91  0.87  0.18  1.0
  N  N16  1  0.14  0.83  0.21  1.0
  N  N17  1  0.73  0.0  0.67  1.0
  O  O18  1  0.07  0.83  0.84  1.0
  O  O19  1  0.12  0.06  0.86  1.0
  O  O20  1  0.12  0.59  0.86  1.0
  O  O21  1  0.13  0.0  0.24  1.0
  O  O22  1  0.32  0.0  0.5  1.0
  O  O23  1  0.48  0.0  0.04  1.0
  O  O24  1  0.54  0.24  0.02  1.0
  O  O25  1  0.54  0.42  0.02  1.0
  O  O26  1  0.72  0.83  0.64  1.0
  O  O27  1  0.73  0.83  0.38  1.0

Co Co P P H H H H H H H H H H H H N N O O O O O O O O O O