data_CsAs3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.4
_cell_length_b   7.4
_cell_length_c   7.78
_cell_angle_alpha   103.17
_cell_angle_beta   103.17
_cell_angle_gamma   107.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsAs3O8
_chemical_formula_sum   'Cs2 As6 O16'
_cell_volume   373.37
_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
  Cs  Cs0  1  0.6  0.09  0.79  1.0
  Cs  Cs1  1  0.1  0.91  0.38  1.0
  As  As2  1  0.13  0.91  0.07  1.0
  As  As3  1  0.08  0.91  0.52  1.0
  As  As4  1  0.6  0.84  0.79  1.0
  As  As5  1  0.63  0.09  0.65  1.0
  As  As6  1  0.57  0.09  0.1  1.0
  As  As7  1  0.1  0.16  0.38  1.0
  O  O8  1  0.96  0.07  0.21  1.0
  O  O9  1  0.26  0.88  0.51  1.0
  O  O10  1  0.75  0.12  0.1  1.0
  O  O11  1  0.83  0.92  0.23  1.0
  O  O12  1  0.74  0.93  0.96  1.0
  O  O13  1  0.95  0.88  0.07  1.0
  O  O14  1  0.32  0.08  0.81  1.0
  O  O15  1  0.49  0.88  0.29  1.0
  O  O16  1  0.46  0.93  0.79  1.0
  O  O17  1  0.88  0.08  0.95  1.0
  O  O18  1  0.38  0.92  0.36  1.0
  O  O19  1  0.22  0.12  0.88  1.0
  O  O20  1  0.45  0.12  0.66  1.0
  O  O21  1  0.98  0.12  0.88  1.0
  O  O22  1  0.72  0.88  0.29  1.0
  O  O23  1  0.24  0.07  0.38  1.0

data_CsAs3O8
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.4
_cell_length_b   7.4
_cell_length_c   7.78
_cell_angle_alpha   103.17
_cell_angle_beta   103.17
_cell_angle_gamma   107.84
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CsAs3O8
_chemical_formula_sum   'Cs2 As6 O16'
_cell_volume   373.37
_cell_formula_units_Z   2
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
  Cs  Cs0  2  0.25  0.09  0.71  1.0
  As  As1  2  0.22  0.09  0.02  1.0
  As  As2  2  0.25  0.84  0.71  1.0
  As  As3  2  0.28  0.09  0.57  1.0
  O  O4  2  0.03  0.92  0.27  1.0
  O  O5  2  0.1  0.12  0.57  1.0
  O  O6  2  0.11  0.93  0.71  1.0
  O  O7  2  0.13  0.88  0.21  1.0
  O  O8  2  0.37  0.88  0.21  1.0
  O  O9  2  0.39  0.93  0.88  1.0
  O  O10  2  0.4  0.12  0.01  1.0
  O  O11  2  0.48  0.92  0.14  1.0

Cs Cs As As As As As As O O O O O O O O O O O O O O O O
Cs Cs As As As As As As O O O O O O O O O O O O O O O O 0 16 o - o 0 5 o o o 0 20 o o o 1 3 o o o 1 23 o + o 1 9 o o o 2 13 - o o 3 9 o o o 4 16 o o o 4 12 o o o 5 20 o o o 6 10 o o o 7 8 - o o 7 23 o o o 8 11 o - o 8 13 o - o 9 18 o o o 10 12 o - - 11 22 o o o 12 17 o + o 14 19 o o o 14 20 o o o 15 18 o o o 17 21 o o o 