data_BaSbAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSbAs2
_chemical_formula_sum   'Ba1 Sb1 As2'
_cell_volume   112.7
_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  0.0  0.34  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.75  0.0  0.28  1.0
  As  As1  1  0.75  0.0  0.4  1.0

data_BaSbAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSbAs2
_chemical_formula_sum   'Ba1 Sb1 As2'
_cell_volume   112.7
_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  0.0  0.0  0.34  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.75  0.0  0.28  1.0
  As  As3  1  0.75  0.0  0.4  1.0

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