data_BaBSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   6.37
_cell_angle_alpha   117.2
_cell_angle_beta   117.2
_cell_angle_gamma   36.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBSb2
_chemical_formula_sum   'Ba1 B1 Sb2'
_cell_volume   110.07
_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  Ba1  1  0.07  0.0  0.43  1.0
  B  B0  1  0.75  0.0  0.85  1.0
  Sb  Sb2  1  0.03  0.0  0.92  1.0
  Sb  Sb3  1  0.92  0.0  0.76  1.0

data_BaBSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   5.77
_cell_length_c   6.35
_cell_angle_alpha   63.19
_cell_angle_beta   73.55
_cell_angle_gamma   71.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBSb2
_chemical_formula_sum   'Ba1 B1 Sb2'
_cell_volume   110.07
_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  0.64  0.43  1.0
  B  B1  1  0.0  0.9  0.85  1.0
  Sb  Sb2  1  0.0  0.11  0.92  1.0
  Sb  Sb3  1  0.0  0.17  0.76  1.0

Ba B Sb Sb