data_As2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   5.31
_cell_length_c   25.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2O3
_chemical_formula_sum   'As4 O6'
_cell_volume   622.92
_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  0.97  0.73  0.06  1.0
  As  As1  1  0.49  0.14  0.08  1.0
  As  As2  1  0.99  0.64  0.18  1.0
  As  As3  1  0.47  0.23  0.21  1.0
  O  O4  1  0.36  0.83  0.06  1.0
  O  O5  1  0.87  0.05  0.08  1.0
  O  O6  1  0.93  0.56  0.12  1.0
  O  O7  1  0.43  0.06  0.15  1.0
  O  O8  1  0.37  0.55  0.19  1.0
  O  O9  1  0.86  0.33  0.21  1.0

As As As As O O O O O O 0 6 o o o 0 5 o + o 0 4 + o o 1 4 o - o 1 7 o o o 1 5 o o o 2 6 o o o 2 9 o o o 2 8 + o o 3 7 o o o 3 8 o o o 3 9 o o o 
data_As2O3
_symmetry_space_group_name_H-M   Pc
_cell_length_a   4.55
_cell_length_b   25.82
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   129.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   7
_chemical_formula_structural   As2O3
_chemical_formula_sum   'As4 O6'
_cell_volume   622.92
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z+1/2'
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  0.24  0.08  0.77  1.0
  As  As1  2  0.35  0.05  0.36  1.0
  O  O2  2  0.38  0.02  0.94  1.0
  O  O3  2  0.52  0.08  0.67  1.0
  O  O4  2  0.82  0.06  0.45  1.0
