data_SiSbAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   3.06
_cell_angle_alpha   100.12
_cell_angle_beta   100.12
_cell_angle_gamma   117.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSbAs2
_chemical_formula_sum   'Si1 Sb1 As2'
_cell_volume   81.83
_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  0.0  1.0
  Sb  Sb2  1  0.92  0.0  0.0  1.0
  As  As0  1  0.94  0.43  0.44  1.0
  As  As1  1  0.94  0.57  0.44  1.0

data_SiSbAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.6
_cell_length_c   5.67
_cell_angle_alpha   116.25
_cell_angle_beta   100.12
_cell_angle_gamma   101.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSbAs2
_chemical_formula_sum   'Si1 Sb1 As2'
_cell_volume   81.83
_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  0.0  1.0
  Sb  Sb1  1  -0.0  0.0  0.92  1.0
  As  As2  1  0.01  0.57  0.51  1.0
  As  As3  1  0.87  0.43  0.37  1.0

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