data_BeH6(NF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   7.82
_cell_length_c   9.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeH6(NF2)2
_chemical_formula_sum   'Be4 H24 N8 F16'
_cell_volume   419.5
_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
  Be  Be0  1  0.14  0.66  0.69  1.0
  Be  Be1  1  0.18  0.57  0.18  1.0
  Be  Be2  1  0.21  0.17  0.22  1.0
  Be  Be3  1  0.17  0.25  0.73  1.0
  H  H4  1  0.72  0.68  0.06  1.0
  H  H5  1  0.61  0.77  0.81  1.0
  H  H6  1  0.64  0.14  0.85  1.0
  H  H7  1  0.74  0.05  0.1  1.0
  H  H8  1  0.47  0.08  0.73  1.0
  H  H9  1  0.85  1.0  0.14  1.0
  H  H10  1  0.88  0.74  0.18  1.0
  H  H11  1  0.5  0.83  0.77  1.0
  H  H12  1  0.72  0.05  0.8  1.0
  H  H13  1  0.61  0.96  0.07  1.0
  H  H14  1  0.63  0.78  0.11  1.0
  H  H15  1  0.75  0.87  0.84  1.0
  H  H16  1  0.24  0.61  0.48  1.0
  H  H17  1  0.08  0.52  0.38  1.0
  H  H18  1  0.11  0.22  0.43  1.0
  H  H19  1  0.27  0.31  0.53  1.0
  H  H20  1  0.96  0.69  0.31  1.0
  H  H21  1  0.36  0.6  0.56  1.0
  H  H22  1  0.39  0.14  0.6  1.0
  H  H23  1  0.99  0.23  0.35  1.0
  H  H24  1  0.03  0.52  0.57  1.0
  H  H25  1  0.29  0.43  0.3  1.0
  H  H26  1  0.32  0.3  0.34  1.0
  H  H27  1  0.06  0.39  0.61  1.0
  N  N28  1  0.26  0.75  0.68  1.0
  N  N29  1  0.06  0.67  0.19  1.0
  N  N30  1  0.09  0.07  0.23  1.0
  N  N31  1  0.29  0.16  0.72  1.0
  N  N32  1  0.45  0.81  0.63  1.0
  N  N33  1  0.88  0.73  0.23  1.0
  N  N34  1  0.9  0.01  0.28  1.0
  N  N35  1  0.48  0.1  0.68  1.0
  F  F36  1  0.94  0.57  0.12  1.0
  F  F37  1  0.38  0.48  0.74  1.0
  F  F38  1  0.41  0.25  0.79  1.0
  F  F39  1  0.97  0.34  0.17  1.0
  F  F40  1  0.05  0.48  0.85  1.0
  F  F41  1  0.28  0.4  0.02  1.0
  F  F42  1  0.31  0.34  0.06  1.0
  F  F43  1  0.07  0.43  0.89  1.0
  F  F44  1  0.21  0.46  0.7  1.0
  F  F45  1  0.11  0.37  0.16  1.0
  F  F46  1  0.14  0.37  0.21  1.0
  F  F47  1  0.24  0.46  0.75  1.0
  F  F48  1  0.89  0.72  0.18  1.0
  F  F49  1  0.44  0.64  0.69  1.0
  F  F50  1  0.46  0.1  0.74  1.0
  F  F51  1  0.92  0.19  0.22  1.0

data_BeH6(NF2)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.41
_cell_length_b   7.82
_cell_length_c   9.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BeH6(NF2)2
_chemical_formula_sum   'Be4 H24 N8 F16'
_cell_volume   419.5
_cell_formula_units_Z   4
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
  Be  Be0  2  0.0  0.16  0.72  1.0
  Be  Be1  2  0.03  0.75  0.77  1.0
  H  H2  2  0.06  0.19  0.03  1.0
  H  H3  2  0.09  0.89  0.07  1.0
  H  H4  2  0.12  0.02  0.84  1.0
  H  H5  2  0.14  0.89  0.89  1.0
  H  H6  2  0.19  0.19  0.1  1.0
  H  H7  2  0.21  0.73  0.15  1.0
  H  H8  2  0.29  0.67  0.27  1.0
  H  H9  2  0.32  0.42  0.32  1.0
  H  H10  2  0.43  0.55  0.61  1.0
  H  H11  2  0.43  0.36  0.35  1.0
  H  H12  2  0.46  0.37  0.66  1.0
  H  H13  2  0.46  0.73  0.4  1.0
  N  N14  2  0.09  0.34  0.22  1.0
  N  N15  2  0.12  0.75  0.27  1.0
  N  N16  2  0.27  0.4  0.18  1.0
  N  N17  2  0.3  0.69  0.22  1.0
  F  F18  2  0.03  0.04  0.25  1.0
  F  F19  2  0.06  0.04  0.29  1.0
  F  F20  2  0.1  0.98  0.56  1.0
  F  F21  2  0.13  0.93  0.61  1.0
  F  F22  2  0.21  0.07  0.29  1.0
  F  F23  2  0.23  0.84  0.33  1.0
  F  F24  2  0.26  0.22  0.24  1.0
  F  F25  2  0.29  0.69  0.28  1.0

Be Be Be Be H H H H H H H H H H H H H H H H H H H H H H H H N N N N N N N N F F F F F F F F F F F F F F F F
Be Be Be Be H H H H H H H H H H H H H H H H H H H H H H H H N N N N N N N N F F F F F F F F F F F F F F F F 0 28 o o o 0 49 o o o 1 29 o o o 1 36 - o o 2 30 o o o 2 51 - o o 3 31 o o o 3 38 o o o 4 14 o o o 5 11 o o o 5 15 o o o 6 12 o o o 7 9 o - o 7 13 o - o 8 50 o o o 8 31 o o o 8 35 o o o 8 38 o o o 9 34 o + o 10 48 o o o 10 29 + o o 10 33 o o o 10 36 o o o 11 32 o o o 16 21 o o o 16 17 o o o 17 20 - o o 17 25 o o o 18 23 - o o 18 19 o o o 19 27 o o o 19 22 o o o 20 33 o o o 21 49 o o o 22 35 o o o 23 51 o o o 24 27 o o o 25 46 o o o 25 26 o o o 27 44 o o o 28 32 o o o 28 49 o o o 29 36 - o o 29 48 - o o 29 33 - o o 30 34 - o o 30 51 - o o 31 35 o o o 31 50 o o o 31 38 o o o 32 49 o o o 33 48 o o o 34 51 o o o 35 50 o o o 36 48 o o o 37 47 o o o 37 49 o o o 38 50 o o o 39 45 + o o 39 51 o o o 40 43 o o o 41 42 o o o 44 47 o o o 45 46 o o o 