data_MnPH6CI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07
_cell_length_b   8.61
_cell_length_c   16.6
_cell_angle_alpha   90.05
_cell_angle_beta   90.77
_cell_angle_gamma   90.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPH6CI3
_chemical_formula_sum   'Mn4 P4 H24 C4 I12'
_cell_volume   1010.17
_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
  Mn  Mn12  1  0.0  0.19  0.47  1.0
  Mn  Mn13  1  0.75  0.51  0.17  1.0
  Mn  Mn14  1  0.55  0.18  0.41  1.0
  Mn  Mn15  1  0.21  0.46  0.2  1.0
  P  P20  1  0.07  0.4  1.0  1.0
  P  P21  1  0.15  0.16  0.72  1.0
  P  P22  1  0.36  0.56  0.51  1.0
  P  P23  1  0.04  0.27  0.26  1.0
  H  H24  1  0.3  0.38  0.96  1.0
  H  H25  1  0.84  0.49  0.75  1.0
  H  H26  1  0.3  0.58  0.9  1.0
  H  H27  1  0.77  0.51  0.49  1.0
  H  H28  1  0.06  0.38  0.1  1.0
  H  H29  1  0.8  0.26  0.39  1.0
  H  H30  1  0.13  0.07  0.52  1.0
  H  H31  1  0.64  0.17  0.86  1.0
  H  H32  1  0.13  0.27  0.51  1.0
  H  H33  1  0.64  0.29  0.41  1.0
  H  H34  1  0.76  0.14  0.94  1.0
  H  H35  1  0.67  0.03  0.39  1.0
  H  H36  1  0.16  0.31  0.25  1.0
  H  H37  1  0.7  0.45  0.54  1.0
  H  H38  1  0.18  0.53  0.36  1.0
  H  H39  1  0.95  0.72  0.06  1.0
  H  H40  1  0.98  0.61  0.82  1.0
  H  H41  1  0.89  0.45  0.2  1.0
  H  H42  1  0.31  0.05  0.12  1.0
  H  H43  1  0.86  0.16  0.02  1.0
  H  H44  1  0.32  0.25  0.21  1.0
  H  H45  1  0.78  0.42  0.63  1.0
  H  H46  1  0.78  0.34  0.89  1.0
  H  H47  1  0.72  0.15  0.78  1.0
  C  C16  1  0.85  0.47  0.23  1.0
  C  C17  1  0.55  0.17  0.98  1.0
  C  C18  1  0.62  0.45  0.74  1.0
  C  C19  1  0.86  0.17  0.48  1.0
  I  I0  1  0.23  0.17  0.64  1.0
  I  I1  1  0.53  0.51  0.9  1.0
  I  I2  1  0.78  0.2  0.19  1.0
  I  I3  1  0.98  0.48  0.36  1.0
  I  I4  1  0.81  0.2  0.72  1.0
  I  I5  1  0.96  0.49  0.83  1.0
  I  I6  1  0.27  0.18  0.09  1.0
  I  I7  1  0.49  0.47  0.47  1.0
  I  I8  1  0.23  0.2  0.64  1.0
  I  I9  1  0.53  0.45  0.91  1.0
  I  I10  1  0.78  0.16  0.17  1.0
  I  I11  1  0.99  0.49  0.36  1.0

data_MnPH6CI3
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.07
_cell_length_b   8.61
_cell_length_c   16.6
_cell_angle_alpha   90.05
_cell_angle_beta   90.77
_cell_angle_gamma   90.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPH6CI3
_chemical_formula_sum   'Mn4 P4 H24 C4 I12'
_cell_volume   1010.17
_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
  Mn  Mn0  1  0.0  0.19  0.47  1.0
  Mn  Mn1  1  0.21  0.46  0.2  1.0
  Mn  Mn2  1  0.55  0.18  0.41  1.0
  Mn  Mn3  1  0.75  0.51  0.17  1.0
  P  P4  1  0.04  0.27  0.26  1.0
  P  P5  1  0.07  0.4  1.0  1.0
  P  P6  1  0.15  0.16  0.72  1.0
  P  P7  1  0.36  0.56  0.51  1.0
  H  H8  1  0.06  0.38  0.1  1.0
  H  H9  1  0.13  0.27  0.51  1.0
  H  H10  1  0.13  0.07  0.52  1.0
  H  H11  1  0.16  0.31  0.25  1.0
  H  H12  1  0.18  0.53  0.36  1.0
  H  H13  1  0.3  0.38  0.96  1.0
  H  H14  1  0.3  0.58  0.9  1.0
  H  H15  1  0.31  0.05  0.12  1.0
  H  H16  1  0.32  0.25  0.21  1.0
  H  H17  1  0.64  0.17  0.86  1.0
  H  H18  1  0.64  0.29  0.41  1.0
  H  H19  1  0.67  0.03  0.39  1.0
  H  H20  1  0.7  0.45  0.54  1.0
  H  H21  1  0.72  0.15  0.78  1.0
  H  H22  1  0.76  0.14  0.94  1.0
  H  H23  1  0.77  0.51  0.49  1.0
  H  H24  1  0.78  0.42  0.63  1.0
  H  H25  1  0.78  0.34  0.89  1.0
  H  H26  1  0.8  0.26  0.39  1.0
  H  H27  1  0.84  0.49  0.75  1.0
  H  H28  1  0.86  0.16  0.02  1.0
  H  H29  1  0.89  0.45  0.2  1.0
  H  H30  1  0.95  0.72  0.06  1.0
  H  H31  1  0.98  0.61  0.82  1.0
  C  C32  1  0.55  0.17  0.98  1.0
  C  C33  1  0.62  0.45  0.74  1.0
  C  C34  1  0.85  0.47  0.23  1.0
  C  C35  1  0.86  0.17  0.48  1.0
  I  I36  1  0.23  0.2  0.64  1.0
  I  I37  1  0.23  0.17  0.64  1.0
  I  I38  1  0.27  0.18  0.09  1.0
  I  I39  1  0.49  0.47  0.47  1.0
  I  I40  1  0.53  0.51  0.9  1.0
  I  I41  1  0.53  0.45  0.91  1.0
  I  I42  1  0.78  0.16  0.17  1.0
  I  I43  1  0.78  0.2  0.19  1.0
  I  I44  1  0.81  0.2  0.72  1.0
  I  I45  1  0.96  0.49  0.83  1.0
  I  I46  1  0.98  0.48  0.36  1.0
  I  I47  1  0.99  0.49  0.36  1.0

Mn Mn Mn Mn P P P P H H H H H H H H H H H H H H H H H H H H H H H H C C C C I I I I I I I I I I I I