data_Fe3(AsO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.91
_cell_length_b   7.91
_cell_length_c   4.67
_cell_angle_alpha   100.82
_cell_angle_beta   100.82
_cell_angle_gamma   96.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3(AsO8)2
_chemical_formula_sum   'Fe3 As2 O16'
_cell_volume   277.84
_cell_formula_units_Z   1
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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.25  0.59  0.0  1.0
  Fe  Fe2  1  0.25  0.41  0.0  1.0
  As  As3  1  0.32  0.0  0.88  1.0
  As  As4  1  0.85  0.0  0.59  1.0
  O  O5  1  0.07  0.0  0.85  1.0
  O  O6  1  0.11  0.0  0.63  1.0
  O  O7  1  0.86  0.0  0.18  1.0
  O  O8  1  0.32  0.0  0.29  1.0
  O  O9  1  0.72  0.55  0.56  1.0
  O  O10  1  0.72  0.45  0.56  1.0
  O  O11  1  0.46  0.45  0.92  1.0
  O  O12  1  0.46  0.55  0.92  1.0
  O  O13  1  0.3  0.36  0.6  1.0
  O  O14  1  0.3  0.64  0.6  1.0
  O  O15  1  0.88  0.64  0.88  1.0
  O  O16  1  0.88  0.36  0.88  1.0
  O  O17  1  0.82  0.92  0.01  1.0
  O  O18  1  0.82  0.08  0.01  1.0
  O  O19  1  0.36  0.08  0.47  1.0
  O  O20  1  0.36  0.92  0.47  1.0

data_Fe3(AsO8)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.67
_cell_length_b   7.91
_cell_length_c   7.91
_cell_angle_alpha   96.79
_cell_angle_beta   100.82
_cell_angle_gamma   100.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3(AsO8)2
_chemical_formula_sum   'Fe3 As2 O16'
_cell_volume   277.84
_cell_formula_units_Z   1
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
  Fe  Fe0  1  -0.0  0.25  0.41  1.0
  Fe  Fe1  1  -0.0  0.25  0.59  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.59  0.85  0.0  1.0
  As  As4  1  0.88  0.32  0.0  1.0
  O  O5  1  0.01  0.82  0.92  1.0
  O  O6  1  0.01  0.82  0.08  1.0
  O  O7  1  0.18  0.86  0.0  1.0
  O  O8  1  0.29  0.32  0.0  1.0
  O  O9  1  0.47  0.36  0.92  1.0
  O  O10  1  0.47  0.36  0.08  1.0
  O  O11  1  0.56  0.72  0.55  1.0
  O  O12  1  0.56  0.72  0.45  1.0
  O  O13  1  0.6  0.3  0.64  1.0
  O  O14  1  0.6  0.3  0.36  1.0
  O  O15  1  0.63  0.11  0.0  1.0
  O  O16  1  0.85  0.07  0.0  1.0
  O  O17  1  0.88  0.88  0.64  1.0
  O  O18  1  0.88  0.88  0.36  1.0
  O  O19  1  0.92  0.46  0.45  1.0
  O  O20  1  0.92  0.46  0.55  1.0

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