data_LiAs3H2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.6
_cell_length_b   8.44
_cell_length_c   10.07
_cell_angle_alpha   90.0
_cell_angle_beta   119.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAs3H2O9
_chemical_formula_sum   'Li4 As12 H8 O36'
_cell_volume   708.43
_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
  Li  Li20  1  0.24  0.35  0.02  1.0
  Li  Li21  1  0.87  0.57  0.35  1.0
  Li  Li22  1  0.75  0.87  0.39  1.0
  Li  Li23  1  0.37  0.08  0.72  1.0
  As  As0  1  0.17  0.17  0.82  1.0
  As  As1  1  0.06  0.11  0.21  1.0
  As  As2  1  0.17  0.73  0.18  1.0
  As  As3  1  0.94  0.51  0.19  1.0
  As  As4  1  0.05  0.33  0.17  1.0
  As  As5  1  0.93  0.39  0.55  1.0
  As  As6  1  0.68  0.05  0.19  1.0
  As  As7  1  0.57  0.11  0.58  1.0
  As  As8  1  0.68  0.93  0.55  1.0
  As  As9  1  0.44  0.71  0.57  1.0
  As  As10  1  0.55  0.33  0.54  1.0
  As  As11  1  0.44  0.27  0.92  1.0
  H  H12  1  0.11  0.91  0.33  1.0
  H  H13  1  0.82  0.24  0.88  1.0
  H  H14  1  0.28  0.02  0.49  1.0
  H  H15  1  1.0  0.69  0.04  1.0
  H  H16  1  0.62  0.75  0.7  1.0
  H  H17  1  0.33  0.42  0.25  1.0
  H  H18  1  0.79  0.2  0.86  1.0
  H  H19  1  0.5  0.53  0.41  1.0
  O  O24  1  0.85  0.8  0.28  1.0
  O  O25  1  0.84  0.18  0.2  1.0
  O  O26  1  0.57  0.13  0.59  1.0
  O  O27  1  0.84  0.49  0.6  1.0
  O  O28  1  0.34  0.58  0.18  1.0
  O  O29  1  0.8  0.03  0.68  1.0
  O  O30  1  0.62  0.41  0.7  1.0
  O  O31  1  0.58  0.75  0.9  1.0
  O  O32  1  0.71  0.21  0.04  1.0
  O  O33  1  0.4  0.99  0.33  1.0
  O  O34  1  0.53  0.97  0.47  1.0
  O  O35  1  0.48  0.63  0.68  1.0
  O  O36  1  0.31  0.81  0.69  1.0
  O  O37  1  0.76  0.8  0.19  1.0
  O  O38  1  0.27  0.71  0.77  1.0
  O  O39  1  0.54  0.91  0.78  1.0
  O  O40  1  0.27  0.4  0.17  1.0
  O  O41  1  0.26  0.58  0.09  1.0
  O  O42  1  0.35  0.86  0.66  1.0
  O  O43  1  0.34  0.04  0.57  1.0
  O  O44  1  0.07  0.53  0.96  1.0
  O  O45  1  0.34  0.73  0.98  1.0
  O  O46  1  0.85  0.64  0.56  1.0
  O  O47  1  0.31  0.63  0.05  1.0
  O  O48  1  0.13  0.81  0.07  1.0
  O  O49  1  0.09  0.47  0.27  1.0
  O  O50  1  0.21  0.45  0.41  1.0
  O  O51  1  0.91  0.23  0.7  1.0
  O  O52  1  0.03  0.69  0.84  1.0
  O  O53  1  0.99  0.03  0.05  1.0
  O  O54  1  0.81  0.41  0.07  1.0
  O  O55  1  0.27  0.86  0.56  1.0
  O  O56  1  0.78  0.95  0.14  1.0
  O  O57  1  0.05  0.31  0.16  1.0
  O  O58  1  0.78  0.26  0.54  1.0
  O  O59  1  0.77  0.64  0.46  1.0

data_LiAs3H2O9
_symmetry_space_group_name_H-M   P-1
_cell_length_a   8.44
_cell_length_b   9.6
_cell_length_c   9.89
_cell_angle_alpha   117.82
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiAs3H2O9
_chemical_formula_sum   'Li4 As12 H8 O36'
_cell_volume   708.43
_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
  Li  Li0  2  0.13  0.72  0.65  1.0
  Li  Li1  2  0.35  0.42  0.98  1.0
  As  As2  2  0.05  0.42  0.55  1.0
  As  As3  2  0.11  0.05  0.79  1.0
  As  As4  2  0.11  0.92  0.17  1.0
  As  As5  2  0.17  0.55  0.18  1.0
  As  As6  2  0.29  0.19  0.82  1.0
  As  As7  2  0.49  0.06  0.19  1.0
  H  H8  2  0.02  0.99  0.51  1.0
  H  H9  2  0.2  0.86  0.88  1.0
  H  H10  2  0.31  0.85  0.04  1.0
  H  H11  2  0.47  0.98  0.67  1.0
  O  O12  2  0.01  0.73  0.33  1.0
  O  O13  2  0.04  0.7  0.17  1.0
  O  O14  2  0.09  0.05  0.78  1.0
  O  O15  2  0.18  0.84  0.8  1.0
  O  O16  2  0.19  0.01  0.32  1.0
  O  O17  2  0.19  0.19  0.69  1.0
  O  O18  2  0.23  0.13  0.04  1.0
  O  O19  2  0.25  0.12  0.9  1.0
  O  O20  2  0.27  0.7  0.23  1.0
  O  O21  2  0.31  0.82  0.59  1.0
  O  O22  2  0.36  0.78  0.81  1.0
  O  O23  2  0.36  0.76  0.72  1.0
  O  O24  2  0.41  0.13  0.3  1.0
  O  O25  2  0.41  0.67  0.68  1.0
  O  O26  2  0.42  0.63  0.09  1.0
  O  O27  2  0.42  0.64  0.18  1.0
  O  O28  2  0.47  0.75  0.47  1.0
  O  O29  2  0.49  0.43  0.4  1.0

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