data_Mn2AsHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.74
_cell_length_b   8.88
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2AsHO5
_chemical_formula_sum   'Mn8 As4 H4 O20'
_cell_volume   496.36
_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  0.37  0.44  0.78  1.0
  Mn  Mn1  1  0.0  0.0  0.82  1.0
  Mn  Mn2  1  0.37  0.44  0.62  1.0
  Mn  Mn3  1  0.0  0.0  0.58  1.0
  Mn  Mn4  1  0.51  0.27  0.0  1.0
  Mn  Mn5  1  0.23  0.61  0.0  1.0
  Mn  Mn6  1  0.14  0.17  0.2  1.0
  Mn  Mn7  1  0.59  0.7  0.2  1.0
  As  As8  1  0.5  0.16  0.2  1.0
  As  As9  1  0.24  0.72  0.2  1.0
  As  As10  1  0.13  0.28  0.0  1.0
  As  As11  1  0.61  0.6  0.0  1.0
  H  H12  1  0.87  0.81  0.0  1.0
  H  H13  1  0.87  0.07  0.0  1.0
  H  H14  1  0.5  0.63  0.2  1.0
  H  H15  1  0.24  0.25  0.2  1.0
  O  O16  1  0.78  0.16  0.0  1.0
  O  O17  1  0.96  0.72  0.0  1.0
  O  O18  1  0.41  0.28  0.2  1.0
  O  O19  1  0.33  0.59  0.2  1.0
  O  O20  1  0.99  0.27  0.2  1.0
  O  O21  1  0.75  0.61  0.2  1.0
  O  O22  1  0.62  0.17  0.0  1.0
  O  O23  1  0.12  0.71  0.0  1.0
  O  O24  1  0.27  0.95  0.2  1.0
  O  O25  1  0.47  0.93  0.2  1.0
  O  O26  1  0.9  0.49  0.0  1.0
  O  O27  1  0.84  0.39  0.0  1.0
  O  O28  1  0.32  0.17  0.59  1.0
  O  O29  1  0.42  0.7  0.59  1.0
  O  O30  1  0.95  0.27  0.01  1.0
  O  O31  1  0.78  0.61  0.01  1.0
  O  O32  1  0.42  0.7  0.81  1.0
  O  O33  1  0.32  0.17  0.81  1.0
  O  O34  1  0.78  0.61  0.39  1.0
  O  O35  1  0.95  0.27  0.39  1.0

data_Mn2AsHO5
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.4
_cell_length_b   8.74
_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   Mn2AsHO5
_chemical_formula_sum   'Mn8 As4 H4 O20'
_cell_volume   496.36
_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  0.23  0.61  1.0
  Mn  Mn1  1  0.0  0.51  0.27  1.0
  Mn  Mn2  1  0.2  0.14  0.17  1.0
  Mn  Mn3  1  0.2  0.59  0.7  1.0
  Mn  Mn4  1  0.58  0.0  0.0  1.0
  Mn  Mn5  1  0.62  0.37  0.44  1.0
  Mn  Mn6  1  0.78  0.37  0.44  1.0
  Mn  Mn7  1  0.82  0.0  0.0  1.0
  As  As8  1  0.0  0.61  0.6  1.0
  As  As9  1  0.0  0.13  0.28  1.0
  As  As10  1  0.2  0.24  0.72  1.0
  As  As11  1  0.2  0.5  0.16  1.0
  H  H12  1  0.0  0.87  0.07  1.0
  H  H13  1  0.0  0.87  0.81  1.0
  H  H14  1  0.2  0.24  0.25  1.0
  H  H15  1  0.2  0.5  0.63  1.0
  O  O16  1  0.0  0.62  0.17  1.0
  O  O17  1  0.0  0.12  0.71  1.0
  O  O18  1  0.0  0.78  0.16  1.0
  O  O19  1  0.0  0.96  0.72  1.0
  O  O20  1  0.0  0.84  0.39  1.0
  O  O21  1  0.0  0.9  0.49  1.0
  O  O22  1  0.01  0.78  0.61  1.0
  O  O23  1  0.01  0.95  0.27  1.0
  O  O24  1  0.2  0.27  0.95  1.0
  O  O25  1  0.2  0.33  0.59  1.0
  O  O26  1  0.2  0.41  0.28  1.0
  O  O27  1  0.2  0.47  0.93  1.0
  O  O28  1  0.2  0.75  0.61  1.0
  O  O29  1  0.2  0.99  0.27  1.0
  O  O30  1  0.39  0.78  0.61  1.0
  O  O31  1  0.39  0.95  0.27  1.0
  O  O32  1  0.59  0.32  0.17  1.0
  O  O33  1  0.59  0.42  0.7  1.0
  O  O34  1  0.81  0.32  0.17  1.0
  O  O35  1  0.81  0.42  0.7  1.0

Mn Mn Mn Mn Mn Mn Mn Mn As As As As H H H H O O O O O O O O O O O O O O O O O O O O
Mn Mn Mn Mn Mn Mn Mn Mn As As As As H H H H O O O O O O O O O O O O O O O O O O O O 0 2 o o o 1 13 - o + 1 3 o o o 4 22 o o o 4 8 o o o 4 18 o o o 5 23 o o o 5 9 o o o 5 19 o o o 6 15 o o o 6 10 o o o 7 14 o o o 7 11 o o o 8 18 o o o 8 22 o o o 8 25 o - o 9 23 o o o 9 19 o o o 9 24 o o o 10 30 - o o 10 20 - o o 10 15 o o o 11 14 o o o 11 31 o o o 11 21 o o o 12 17 o o o 13 16 o o o 14 19 o o o 15 18 o o o 16 22 o o o 17 23 + o o 20 30 o o o 20 35 o o o 21 31 o o o 21 34 o o o 24 25 o o o 26 27 o o o 26 31 o o o 27 30 o o o 28 33 o o o 29 32 o o o 