data_SbAsO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   5.4
_cell_length_c   19.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.72
_cell_angle_gamma   86.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbAsO3
_chemical_formula_sum   'Sb2 As2 O6'
_cell_volume   471.14
_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
  Sb  Sb0  1  0.48  0.67  0.02  1.0
  Sb  Sb1  1  0.99  0.17  0.15  1.0
  As  As2  1  0.99  0.24  0.98  1.0
  As  As3  1  0.5  0.74  0.19  1.0
  O  O4  1  0.06  0.55  0.01  1.0
  O  O5  1  0.59  0.33  0.98  1.0
  O  O6  1  0.54  0.56  0.11  1.0
  O  O7  1  0.04  0.06  0.06  1.0
  O  O8  1  0.57  0.05  0.16  1.0
  O  O9  1  0.1  0.83  0.19  1.0

Sb Sb As As O O O O O O 0 4 o o o 0 5 o o - 0 6 o o o 1 8 o o o 1 7 + o o 1 9 + - o 2 5 o o o 2 7 + o + 2 4 + o + 3 9 o o o 3 6 o o o 3 8 o + o 
data_SbAsO3
_symmetry_space_group_name_H-M   Pc
_cell_length_a   4.49
_cell_length_b   19.5
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   127.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   7
_chemical_formula_structural   SbAsO3
_chemical_formula_sum   'Sb2 As2 O6'
_cell_volume   471.18
_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
  Sb  Sb0  2  0.84  0.43  0.83  1.0
  As  As1  2  0.77  0.39  0.26  1.0
  O  O2  2  0.08  0.4  0.17  1.0
  O  O3  2  0.39  0.42  0.95  1.0
  O  O4  2  0.9  0.47  0.44  1.0
