data_SiBAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   6.21
_cell_angle_alpha   106.49
_cell_angle_beta   106.49
_cell_angle_gamma   56.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiBAs2
_chemical_formula_sum   'Si1 B1 As2'
_cell_volume   60.94
_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  0.09  0.0  0.94  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.16  0.0  0.62  1.0
  As  As1  1  0.02  0.0  0.25  1.0

data_SiBAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.52
_cell_length_c   6.21
_cell_angle_alpha   73.58
_cell_angle_beta   74.33
_cell_angle_gamma   61.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiBAs2
_chemical_formula_sum   'Si1 B1 As2'
_cell_volume   60.94
_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  0.15  0.94  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.0  0.54  0.62  1.0
  As  As3  1  0.0  0.77  0.25  1.0

Si B As As