data_Be2AsH5O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61
_cell_length_b   7.61
_cell_length_c   9.38
_cell_angle_alpha   99.35
_cell_angle_beta   99.35
_cell_angle_gamma   115.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AsH5O7
_chemical_formula_sum   'Be8 As4 H20 O28'
_cell_volume   469.02
_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  Be4  1  0.11  0.49  0.38  1.0
  Be  Be5  1  0.17  0.72  0.64  1.0
  Be  Be6  1  0.74  0.72  0.77  1.0
  Be  Be7  1  0.8  0.49  0.04  1.0
  Be  Be8  1  0.53  0.51  0.91  1.0
  Be  Be9  1  0.59  0.28  0.17  1.0
  Be  Be10  1  0.16  0.28  0.3  1.0
  Be  Be11  1  0.22  0.51  0.56  1.0
  As  As0  1  0.72  0.13  0.33  1.0
  As  As1  1  0.19  0.13  0.09  1.0
  As  As2  1  0.14  0.87  0.85  1.0
  As  As3  1  0.61  0.87  0.62  1.0
  H  H12  1  0.9  0.26  0.88  1.0
  H  H13  1  0.49  0.0  0.31  1.0
  H  H14  1  0.84  0.64  0.8  1.0
  H  H15  1  0.52  0.93  0.63  1.0
  H  H16  1  0.98  0.08  0.32  1.0
  H  H17  1  0.93  0.08  0.09  1.0
  H  H18  1  0.39  0.93  0.79  1.0
  H  H19  1  0.08  0.64  0.61  1.0
  H  H20  1  0.42  0.0  0.1  1.0
  H  H21  1  0.01  0.26  0.54  1.0
  H  H22  1  0.32  0.74  0.41  1.0
  H  H23  1  0.91  1.0  0.84  1.0
  H  H24  1  0.26  0.36  0.33  1.0
  H  H25  1  0.94  0.07  0.16  1.0
  H  H26  1  0.4  0.92  0.85  1.0
  H  H27  1  0.35  0.92  0.62  1.0
  H  H28  1  0.81  0.07  0.32  1.0
  H  H29  1  0.49  0.36  0.14  1.0
  H  H30  1  0.84  1.0  0.63  1.0
  H  H31  1  0.43  0.74  0.06  1.0
  O  O32  1  1.0  0.25  0.8  1.0
  O  O33  1  0.49  0.77  0.46  1.0
  O  O34  1  0.88  0.92  0.63  1.0
  O  O35  1  0.26  0.37  0.55  1.0
  O  O36  1  0.41  0.5  0.62  1.0
  O  O37  1  0.56  0.09  0.83  1.0
  O  O38  1  0.39  0.26  0.1  1.0
  O  O39  1  0.52  0.26  0.31  1.0
  O  O40  1  0.35  0.09  0.59  1.0
  O  O41  1  0.5  0.5  0.8  1.0
  O  O42  1  0.65  0.37  0.86  1.0
  O  O43  1  0.03  0.92  0.78  1.0
  O  O44  1  0.43  0.77  0.95  1.0
  O  O45  1  0.91  0.25  0.62  1.0
  O  O46  1  0.42  0.75  0.33  1.0
  O  O47  1  0.9  0.23  0.99  1.0
  O  O48  1  0.3  0.08  0.16  1.0
  O  O49  1  0.68  0.63  0.08  1.0
  O  O50  1  0.83  0.5  0.14  1.0
  O  O51  1  0.98  0.91  0.36  1.0
  O  O52  1  0.81  0.74  0.63  1.0
  O  O53  1  0.94  0.74  0.84  1.0
  O  O54  1  0.77  0.91  0.11  1.0
  O  O55  1  0.92  0.5  0.33  1.0
  O  O56  1  0.07  0.63  0.39  1.0
  O  O57  1  0.45  0.08  0.31  1.0
  O  O58  1  0.85  0.23  0.48  1.0
  O  O59  1  0.33  0.75  0.15  1.0

data_Be2AsH5O7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.61
_cell_length_b   7.61
_cell_length_c   9.38
_cell_angle_alpha   99.35
_cell_angle_beta   99.35
_cell_angle_gamma   115.06
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Be2AsH5O7
_chemical_formula_sum   'Be8 As4 H20 O28'
_cell_volume   469.02
_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  0.72  0.17  1.0
  Be  Be1  2  0.06  0.51  0.09  1.0
  Be  Be2  2  0.36  0.51  0.44  1.0
  Be  Be3  2  0.42  0.28  0.7  1.0
  As  As4  2  0.03  0.13  0.62  1.0
  As  As5  2  0.45  0.87  0.15  1.0
  H  H6  2  0.09  0.36  0.86  1.0
  H  H7  2  0.15  0.74  0.94  1.0
  H  H8  2  0.19  0.92  0.15  1.0
  H  H9  2  0.22  0.93  0.32  1.0
  H  H10  2  0.23  0.92  0.38  1.0
  H  H11  2  0.26  0.0  0.63  1.0
  H  H12  2  0.27  0.74  0.59  1.0
  H  H13  2  0.32  0.0  0.84  1.0
  H  H14  2  0.33  0.36  0.67  1.0
  H  H15  2  0.36  0.93  0.16  1.0
  O  O16  2  0.1  0.37  0.08  1.0
  O  O17  2  0.14  0.08  0.69  1.0
  O  O18  2  0.17  0.75  0.67  1.0
  O  O19  2  0.18  0.09  0.11  1.0
  O  O20  2  0.22  0.26  0.63  1.0
  O  O21  2  0.24  0.5  0.14  1.0
  O  O22  2  0.25  0.75  0.85  1.0
  O  O23  2  0.26  0.77  0.48  1.0
  O  O24  2  0.28  0.08  0.84  1.0
  O  O25  2  0.32  0.77  0.99  1.0
  O  O26  2  0.34  0.5  0.33  1.0
  O  O27  2  0.36  0.26  0.84  1.0
  O  O28  2  0.4  0.09  0.36  1.0
  O  O29  2  0.48  0.37  0.39  1.0

Be Be Be Be Be Be Be Be As As As As H H H H H H H H H H H H H H H H H H H H O O O O O O O O O O O O O O O O O O O O O O O O O O O O
Be Be Be Be Be Be Be Be As As As As H H H H H H H H H H H H H H H H H H H H O O O O O O O O O O O O O O O O O O O O O O O O O O O O 0 56 o o o 0 55 - o o 1 19 o o o 2 14 o o o 2 52 o o o 3 50 o o o 3 42 o o - 3 49 o o o 4 41 o o o 4 42 o o o 4 49 o o + 5 29 o o o 5 39 o o o 6 24 o o o 7 36 o o o 7 35 o o o 8 28 o o o 9 48 o o o 9 38 o o o 10 53 - o o 10 43 o o o 11 15 o o o 12 32 o o o 12 47 o o o 13 57 o o o 14 53 o o o 15 27 o o o 16 25 o o o 16 28 o o o 16 51 o - o 17 25 o o o 17 54 o - o 18 26 o o o 18 27 o o o 18 37 o + o 20 48 o o o 21 58 - o o 21 45 - o o 22 46 o o o 22 33 o o o 23 43 + o o 25 54 o - o 26 37 o + o 27 40 o + o 29 38 o o o 30 34 o o o 31 44 o o - 31 59 o o o 33 46 o o o 34 52 o o o 35 36 o o o 37 42 o o o 38 48 o o o 39 57 o o o 41 42 o o o 43 53 - o o 45 58 o o o 49 54 o o o 49 50 o o o 55 56 + o o 