data_As2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   8.28
_cell_length_c   25.9
_cell_angle_alpha   101.13
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2O3
_chemical_formula_sum   'As4 O6'
_cell_volume   958.86
_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
  As  As0  1  0.79  0.68  0.05  1.0
  As  As1  1  0.38  0.12  0.07  1.0
  As  As2  1  0.29  0.83  0.14  1.0
  As  As3  1  0.88  0.38  0.12  1.0
  O  O4  1  0.12  0.79  0.07  1.0
  O  O5  1  0.92  0.47  0.06  1.0
  O  O6  1  1.0  0.18  0.08  1.0
  O  O7  1  0.62  0.71  0.12  1.0
  O  O8  1  0.5  0.33  0.11  1.0
  O  O9  1  0.42  0.03  0.13  1.0

As As As As O O O O O O 0 7 o o o 0 5 o o o 0 4 + o o 1 6 - o o 1 9 o o o 1 8 o o o 2 4 o o o 2 7 o o o 2 9 o + o 3 8 o o o 3 6 o o o 3 5 o o o 
data_As2O3
_symmetry_space_group_name_H-M   P2_1
_cell_length_a   8.28
_cell_length_b   4.56
_cell_length_c   25.62
_cell_angle_alpha   90.0
_cell_angle_beta   97.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   4
_chemical_formula_structural   As2O3
_chemical_formula_sum   'As4 O6'
_cell_volume   958.86
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, y+1/2, -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
  As  As0  2  0.03  0.79  0.96  1.0
  As  As1  2  0.39  0.88  0.02  1.0
  O  O2  2  0.06  0.62  0.02  1.0
  O  O3  2  0.24  0.92  0.96  1.0
  O  O4  2  0.44  0.5  0.01  1.0
