data_HoPH5CO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.62
_cell_length_c   7.09
_cell_angle_alpha   110.03
_cell_angle_beta   92.65
_cell_angle_gamma   93.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoPH5CO7
_chemical_formula_sum   'Ho2 P2 H10 C2 O14'
_cell_volume   272.2
_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
  Ho  Ho12  1  0.1  0.94  0.34  1.0
  Ho  Ho13  1  0.37  0.21  0.3  1.0
  P  P28  1  0.49  0.62  0.52  1.0
  P  P29  1  0.97  0.53  0.12  1.0
  H  H2  1  0.33  0.35  0.9  1.0
  H  H3  1  0.14  0.8  0.75  1.0
  H  H4  1  0.89  0.11  0.44  1.0
  H  H5  1  0.58  0.04  0.2  1.0
  H  H6  1  0.1  0.04  0.34  1.0
  H  H7  1  0.37  0.12  0.3  1.0
  H  H8  1  0.67  0.41  0.37  1.0
  H  H9  1  0.8  0.74  0.27  1.0
  H  H10  1  0.85  0.85  0.14  1.0
  H  H11  1  0.62  0.3  0.5  1.0
  C  C0  1  0.62  0.4  0.29  1.0
  C  C1  1  0.85  0.75  0.35  1.0
  O  O14  1  0.91  0.2  0.41  1.0
  O  O15  1  0.56  0.95  0.23  1.0
  O  O16  1  0.93  0.69  0.85  1.0
  O  O17  1  0.54  0.46  0.79  1.0
  O  O18  1  0.54  0.47  0.19  1.0
  O  O19  1  0.93  0.69  0.45  1.0
  O  O20  1  0.99  0.13  0.27  1.0
  O  O21  1  0.48  0.03  0.38  1.0
  O  O22  1  0.11  0.73  0.19  1.0
  O  O23  1  0.36  0.43  0.46  1.0
  O  O24  1  0.26  0.21  0.8  1.0
  O  O25  1  0.21  0.94  0.84  1.0
  O  O26  1  0.12  0.04  0.41  1.0
  O  O27  1  0.35  0.12  0.23  1.0

data_HoPH5CO7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.2
_cell_length_b   6.62
_cell_length_c   7.09
_cell_angle_alpha   110.03
_cell_angle_beta   92.65
_cell_angle_gamma   93.55
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HoPH5CO7
_chemical_formula_sum   'Ho2 P2 H10 C2 O14'
_cell_volume   272.2
_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
  Ho  Ho0  2  0.13  0.14  0.98  1.0
  P  P1  2  0.26  0.55  0.2  1.0
  H  H2  2  0.1  0.28  0.58  1.0
  H  H3  2  0.14  0.04  0.98  1.0
  H  H4  2  0.35  0.97  0.88  1.0
  H  H5  2  0.39  0.22  0.18  1.0
  H  H6  2  0.43  0.33  0.05  1.0
  C  C7  2  0.38  0.32  0.97  1.0
  O  O8  2  0.02  0.14  0.48  1.0
  O  O9  2  0.11  0.04  0.91  1.0
  O  O10  2  0.12  0.35  0.13  1.0
  O  O11  2  0.24  0.95  0.05  1.0
  O  O12  2  0.31  0.38  0.47  1.0
  O  O13  2  0.31  0.39  0.87  1.0
  O  O14  2  0.33  0.88  0.91  1.0

Ho Ho P P H H H H H H H H H H C C O O O O O O O O O O O O O O