data_BiAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.15
_cell_length_b   16.47
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiAs3
_chemical_formula_sum   'Bi6 As18'
_cell_volume   634.0
_cell_formula_units_Z   6
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
  Bi  Bi18  1  0.0  0.23  0.26  1.0
  Bi  Bi19  1  0.0  0.62  0.13  1.0
  Bi  Bi20  1  0.0  0.85  0.13  1.0
  Bi  Bi21  1  0.07  0.0  0.46  1.0
  Bi  Bi22  1  0.07  0.85  0.59  1.0
  Bi  Bi23  1  0.07  0.61  0.59  1.0
  As  As0  1  0.89  0.47  0.23  1.0
  As  As1  1  0.89  1.0  0.23  1.0
  As  As2  1  0.87  0.23  0.93  1.0
  As  As3  1  0.36  0.0  0.8  1.0
  As  As4  1  0.33  0.7  0.49  1.0
  As  As5  1  0.33  0.76  0.49  1.0
  As  As6  1  0.0  0.0  0.15  1.0
  As  As7  1  0.0  0.06  0.76  1.0
  As  As8  1  0.0  0.41  0.76  1.0
  As  As9  1  0.26  0.47  0.23  1.0
  As  As10  1  0.26  1.0  0.23  1.0
  As  As11  1  0.28  0.23  0.93  1.0
  As  As12  1  0.79  0.0  0.8  1.0
  As  As13  1  0.82  0.7  0.49  1.0
  As  As14  1  0.82  0.76  0.49  1.0
  As  As15  1  0.07  0.23  0.57  1.0
  As  As16  1  0.07  0.83  0.97  1.0
  As  As17  1  0.07  0.64  0.97  1.0

data_BiAs3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.73
_cell_length_b   8.15
_cell_length_c   16.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiAs3
_chemical_formula_sum   'Bi6 As18'
_cell_volume   634.0
_cell_formula_units_Z   6
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
  Bi  Bi0  1  0.13  0.0  0.62  1.0
  Bi  Bi1  1  0.13  0.0  0.85  1.0
  Bi  Bi2  1  0.26  0.0  0.23  1.0
  Bi  Bi3  1  0.46  0.07  0.0  1.0
  Bi  Bi4  1  0.59  0.07  0.61  1.0
  Bi  Bi5  1  0.59  0.07  0.85  1.0
  As  As6  1  0.15  0.0  0.0  1.0
  As  As7  1  0.23  0.26  0.47  1.0
  As  As8  1  0.23  0.26  1.0  1.0
  As  As9  1  0.23  0.89  0.47  1.0
  As  As10  1  0.23  0.89  1.0  1.0
  As  As11  1  0.49  0.33  0.7  1.0
  As  As12  1  0.49  0.33  0.76  1.0
  As  As13  1  0.49  0.82  0.7  1.0
  As  As14  1  0.49  0.82  0.76  1.0
  As  As15  1  0.57  0.07  0.23  1.0
  As  As16  1  0.76  0.0  0.06  1.0
  As  As17  1  0.76  0.0  0.41  1.0
  As  As18  1  0.8  0.36  0.0  1.0
  As  As19  1  0.8  0.79  0.0  1.0
  As  As20  1  0.93  0.28  0.23  1.0
  As  As21  1  0.93  0.87  0.23  1.0
  As  As22  1  0.97  0.07  0.64  1.0
  As  As23  1  0.97  0.07  0.83  1.0

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