data_SiSbAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSbAs2
_chemical_formula_sum   'Si1 Sb1 As2'
_cell_volume   89.95
_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
  Si  Si3  1  0.0  0.0  0.89  1.0
  Sb  Sb2  1  0.91  0.0  0.26  1.0
  As  As0  1  0.91  0.0  0.39  1.0
  As  As1  1  0.0  0.0  0.24  1.0

data_SiSbAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSbAs2
_chemical_formula_sum   'Si1 Sb1 As2'
_cell_volume   89.95
_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
  Si  Si0  1  0.0  0.0  0.89  1.0
  Sb  Sb1  1  0.91  0.0  0.26  1.0
  As  As2  1  0.0  0.0  0.24  1.0
  As  As3  1  0.91  0.0  0.39  1.0

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