data_SbAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.04
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   107.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbAs3
_chemical_formula_sum   'Sb1 As3'
_cell_volume   92.07
_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
  Sb  Sb3  1  0.62  0.0  0.39  1.0
  As  As0  1  0.05  0.02  0.78  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.18  0.02  1.0  1.0

data_SbAs3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.77
_cell_length_c   5.02
_cell_angle_alpha   107.87
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbAs3
_chemical_formula_sum   'Sb1 As3'
_cell_volume   92.07
_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
  Sb  Sb0  1  0.0  0.38  0.61  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.98  0.82  0.0  1.0
  As  As3  1  0.98  0.95  0.22  1.0

Sb As As As
Sb As As As 0 3 o o - 0 1 + o o 1 2 o o + 1 3 o o o 2 3 o o - 