data_Mn(BH4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.36
_cell_length_b   8.3
_cell_length_c   7.04
_cell_angle_alpha   65.49
_cell_angle_beta   64.56
_cell_angle_gamma   49.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn(BH4)2
_chemical_formula_sum   'Mn4 B8 H32'
_cell_volume   330.72
_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  0.92  0.03  0.62  1.0
  Mn  Mn1  1  0.92  0.03  0.74  1.0
  Mn  Mn2  1  0.38  0.54  0.09  1.0
  Mn  Mn3  1  0.38  0.54  0.96  1.0
  B  B4  1  0.27  0.0  0.02  1.0
  B  B5  1  0.58  0.05  0.02  1.0
  B  B6  1  0.27  0.05  0.35  1.0
  B  B7  1  0.58  0.0  0.35  1.0
  B  B8  1  0.04  0.56  0.69  1.0
  B  B9  1  0.73  0.52  0.69  1.0
  B  B10  1  0.04  0.52  0.36  1.0
  B  B11  1  0.73  0.56  0.36  1.0
  H  H12  1  0.11  0.98  0.61  1.0
  H  H13  1  0.74  0.08  0.61  1.0
  H  H14  1  0.11  0.08  0.75  1.0
  H  H15  1  0.74  0.98  0.75  1.0
  H  H16  1  0.36  0.56  0.41  1.0
  H  H17  1  0.57  0.46  0.41  1.0
  H  H18  1  0.36  0.46  0.27  1.0
  H  H19  1  0.57  0.56  0.27  1.0
  H  H20  1  0.6  0.4  0.19  1.0
  H  H21  1  0.24  0.65  0.19  1.0
  H  H22  1  0.6  0.65  0.18  1.0
  H  H23  1  0.24  0.4  0.18  1.0
  H  H24  1  0.7  0.17  0.52  1.0
  H  H25  1  0.06  0.91  0.52  1.0
  H  H26  1  0.7  0.91  0.53  1.0
  H  H27  1  0.06  0.17  0.53  1.0
  H  H28  1  0.84  0.73  0.03  1.0
  H  H29  1  0.0  0.33  0.03  1.0
  H  H30  1  0.84  0.33  0.34  1.0
  H  H31  1  0.0  0.73  0.34  1.0
  H  H32  1  0.46  0.84  0.68  1.0
  H  H33  1  0.3  0.24  0.68  1.0
  H  H34  1  0.46  0.24  0.37  1.0
  H  H35  1  0.3  0.84  0.37  1.0
  H  H36  1  0.68  0.84  0.91  1.0
  H  H37  1  0.16  0.21  0.91  1.0
  H  H38  1  0.68  0.21  0.45  1.0
  H  H39  1  0.16  0.84  0.45  1.0
  H  H40  1  0.62  0.73  0.79  1.0
  H  H41  1  0.14  0.36  0.79  1.0
  H  H42  1  0.62  0.36  0.25  1.0
  H  H43  1  0.14  0.73  0.25  1.0

data_Mn(BH4)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.04
_cell_length_b   7.04
_cell_length_c   8.3
_cell_angle_alpha   114.51
_cell_angle_beta   114.51
_cell_angle_gamma   91.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn(BH4)2
_chemical_formula_sum   'Mn4 B8 H32'
_cell_volume   330.72
_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  0.03  0.57  0.95  1.0
  Mn  Mn1  1  0.03  0.69  0.95  1.0
  Mn  Mn2  1  0.54  0.01  0.92  1.0
  Mn  Mn3  1  0.54  0.89  0.92  1.0
  B  B4  1  0.0  0.29  0.27  1.0
  B  B5  1  0.0  0.93  0.58  1.0
  B  B6  1  0.05  0.64  0.63  1.0
  B  B7  1  0.05  0.67  0.32  1.0
  B  B8  1  0.52  0.91  0.56  1.0
  B  B9  1  0.52  0.94  0.25  1.0
  B  B10  1  0.56  0.29  0.6  1.0
  B  B11  1  0.56  0.65  0.29  1.0
  H  H12  1  0.08  0.43  0.82  1.0
  H  H13  1  0.08  0.94  0.18  1.0
  H  H14  1  0.17  0.39  0.87  1.0
  H  H15  1  0.17  0.76  0.23  1.0
  H  H16  1  0.21  0.29  0.37  1.0
  H  H17  1  0.21  0.35  0.9  1.0
  H  H18  1  0.24  0.07  0.71  1.0
  H  H19  1  0.24  0.23  0.55  1.0
  H  H20  1  0.33  0.35  0.33  1.0
  H  H21  1  0.33  0.51  0.17  1.0
  H  H22  1  0.36  0.23  0.98  1.0
  H  H23  1  0.36  0.29  0.5  1.0
  H  H24  1  0.4  0.19  0.0  1.0
  H  H25  1  0.4  0.82  0.64  1.0
  H  H26  1  0.46  0.09  0.82  1.0
  H  H27  1  0.46  0.44  0.03  1.0
  H  H28  1  0.56  0.33  0.92  1.0
  H  H29  1  0.56  0.4  0.13  1.0
  H  H30  1  0.65  0.08  0.89  1.0
  H  H31  1  0.65  0.44  0.26  1.0
  H  H32  1  0.73  0.12  0.87  1.0
  H  H33  1  0.73  0.14  0.35  1.0
  H  H34  1  0.73  0.07  0.73  1.0
  H  H35  1  0.73  0.6  0.57  1.0
  H  H36  1  0.84  0.51  0.14  1.0
  H  H37  1  0.84  0.98  0.3  1.0
  H  H38  1  0.84  0.44  0.53  1.0
  H  H39  1  0.84  0.45  0.0  1.0
  H  H40  1  0.91  0.14  0.62  1.0
  H  H41  1  0.91  0.5  0.98  1.0
  H  H42  1  0.98  0.47  0.71  1.0
  H  H43  1  0.98  0.69  0.08  1.0

Mn Mn Mn Mn B B B B B B B B H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H
Mn Mn Mn Mn B B B B B B B B H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H 0 1 o o o 0 12 + - o 1 12 + - o 2 3 o o - 2 18 o o o 2 23 o o o 3 23 o o + 4 37 o o - 5 36 o - - 5 15 o - - 6 35 o - o 6 27 o o o 7 26 o - o 7 34 o o o 8 41 o o o 9 40 o o o 10 23 o o o 10 31 o o o 11 30 o o o 11 17 o o o 11 22 o o o 11 19 o o o 12 25 o o o 12 27 o + o 12 14 o + o 13 24 o o o 13 15 o - o 13 26 o - o 14 27 o o o 15 26 o o o 15 36 o o o 16 18 o o o 16 17 o o o 16 19 o o o 17 19 o o o 17 30 o o o 18 34 o o o 18 21 o o o 18 23 o o o 19 22 o o o 19 30 o o o 20 42 o o o 21 43 o o o 24 38 o o o 24 26 o - o 24 30 o o o 25 39 o o o 26 32 o o o 26 40 o o o 26 31 + o o 26 38 o + o 27 30 - o o 28 36 o o - 29 37 o o - 29 30 - o o 30 38 o o o 30 42 o o o 31 43 o o o 32 40 o o o 33 41 o o o 35 39 o o o 37 41 o o o 