data_BaSbAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   144.59
_cell_angle_beta   125.76
_cell_angle_gamma   66.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSbAs2
_chemical_formula_sum   'Ba1 Sb1 As2'
_cell_volume   111.6
_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
  Ba  Ba2  1  0.0  0.84  0.11  1.0
  Sb  Sb3  1  0.0  0.0  0.24  1.0
  As  As0  1  0.0  0.84  0.95  1.0
  As  As1  1  0.0  0.0  0.31  1.0

data_BaSbAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   5.67
_cell_length_c   6.22
_cell_angle_alpha   117.12
_cell_angle_beta   107.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSbAs2
_chemical_formula_sum   'Ba1 Sb1 As2'
_cell_volume   111.6
_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
  Ba  Ba0  1  0.16  0.27  0.27  1.0
  Sb  Sb1  1  0.0  0.24  0.24  1.0
  As  As2  1  0.0  0.31  0.31  1.0
  As  As3  1  0.16  0.11  0.11  1.0

Ba Sb As As