data_B2SbAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82
_cell_length_b   7.82
_cell_length_c   7.82
_cell_angle_alpha   23.0
_cell_angle_beta   23.0
_cell_angle_gamma   23.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2SbAs
_chemical_formula_sum   'B2 Sb1 As1'
_cell_volume   64.04
_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  0.68  1.0
  B  B2  1  0.0  0.0  0.06  1.0
  Sb  Sb3  1  0.0  0.0  0.93  1.0
  As  As0  1  0.0  0.0  0.56  1.0

data_B2SbAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.4
_cell_length_b   3.12
_cell_length_c   7.82
_cell_angle_alpha   90.0
_cell_angle_beta   103.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   B2SbAs
_chemical_formula_sum   'B4 Sb2 As2'
_cell_volume   128.08
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.32  1.0
  B  B1  2  0.0  0.0  0.94  1.0
  Sb  Sb2  2  0.0  0.0  0.07  1.0
  As  As3  2  0.0  0.0  0.44  1.0

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