data_CaAsH5O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.19
_cell_length_b   9.19
_cell_length_c   6.16
_cell_angle_alpha   96.16
_cell_angle_beta   96.16
_cell_angle_gamma   140.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAsH5O6
_chemical_formula_sum   'Ca2 As2 H10 O12'
_cell_volume   314.66
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.75  0.98  0.14  1.0
  Ca  Ca1  1  0.72  0.02  0.22  1.0
  As  As2  1  0.77  0.11  0.49  1.0
  As  As3  1  0.8  0.89  0.41  1.0
  H  H4  1  0.4  0.48  0.14  1.0
  H  H5  1  0.71  0.28  0.09  1.0
  H  H6  1  0.2  0.72  0.17  1.0
  H  H7  1  0.82  0.36  0.4  1.0
  H  H8  1  0.68  0.72  0.17  1.0
  H  H9  1  0.17  0.28  0.25  1.0
  H  H10  1  0.9  0.53  0.06  1.0
  H  H11  1  0.43  0.52  0.06  1.0
  H  H12  1  0.87  0.47  0.14  1.0
  H  H13  1  0.85  0.64  0.32  1.0
  O  O14  1  0.21  0.25  0.2  1.0
  O  O15  1  0.01  0.25  0.07  1.0
  O  O16  1  0.13  0.15  0.54  1.0
  O  O17  1  0.43  0.67  0.44  1.0
  O  O18  1  0.98  0.75  0.15  1.0
  O  O19  1  0.74  0.76  0.5  1.0
  O  O20  1  0.14  0.43  0.66  1.0
  O  O21  1  0.24  0.75  0.12  1.0
  O  O22  1  0.16  0.85  0.46  1.0
  O  O23  1  0.12  0.57  0.74  1.0
  O  O24  1  0.4  0.33  0.52  1.0
  O  O25  1  0.76  0.24  0.42  1.0

data_CaAsH5O6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.16
_cell_length_b   6.24
_cell_length_c   9.19
_cell_angle_alpha   70.16
_cell_angle_beta   83.84
_cell_angle_gamma   71.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAsH5O6
_chemical_formula_sum   'Ca2 As2 H10 O12'
_cell_volume   314.66
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.78  0.02  0.7  1.0
  Ca  Ca1  1  0.86  0.98  0.77  1.0
  As  As2  1  0.51  0.11  0.66  1.0
  As  As3  1  0.59  0.89  0.91  1.0
  H  H4  1  0.6  0.36  0.46  1.0
  H  H5  1  0.68  0.64  0.21  1.0
  H  H6  1  0.75  0.28  0.88  1.0
  H  H7  1  0.83  0.72  0.48  1.0
  H  H8  1  0.83  0.72  0.96  1.0
  H  H9  1  0.86  0.48  0.91  1.0
  H  H10  1  0.86  0.47  0.4  1.0
  H  H11  1  0.91  0.28  0.43  1.0
  H  H12  1  0.94  0.52  0.91  1.0
  H  H13  1  0.94  0.53  0.37  1.0
  O  O14  1  0.26  0.57  0.55  1.0
  O  O15  1  0.34  0.43  0.71  1.0
  O  O16  1  0.46  0.15  0.99  1.0
  O  O17  1  0.48  0.33  0.07  1.0
  O  O18  1  0.5  0.76  0.98  1.0
  O  O19  1  0.54  0.85  0.31  1.0
  O  O20  1  0.56  0.67  0.77  1.0
  O  O21  1  0.58  0.24  0.52  1.0
  O  O22  1  0.8  0.25  0.96  1.0
  O  O23  1  0.85  0.75  0.23  1.0
  O  O24  1  0.88  0.75  0.49  1.0
  O  O25  1  0.93  0.25  0.75  1.0

Ca Ca As As H H H H H H H H H H O O O O O O O O O O O O