data_BSb2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   6.3
_cell_angle_alpha   148.97
_cell_angle_beta   136.06
_cell_angle_gamma   54.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BSb2As
_chemical_formula_sum   'B1 Sb2 As1'
_cell_volume   88.79
_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
  B  B1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.36  0.87  1.0
  Sb  Sb3  1  0.68  0.0  0.72  1.0
  As  As0  1  0.0  0.0  0.59  1.0

data_BSb2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.71
_cell_length_c   6.3
_cell_angle_alpha   111.97
_cell_angle_beta   105.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BSb2As
_chemical_formula_sum   'B1 Sb2 As1'
_cell_volume   88.79
_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
  B  B0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.13  0.49  0.49  1.0
  Sb  Sb2  1  0.96  0.28  0.96  1.0
  As  As3  1  0.41  0.41  0.41  1.0

B Sb Sb As