data_BaNbSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   6.9
_cell_length_c   6.9
_cell_angle_alpha   36.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNbSb2
_chemical_formula_sum   'Ba1 Nb1 Sb2'
_cell_volume   144.78
_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  0.59  0.0  0.35  1.0
  Nb  Nb1  1  0.0  0.0  0.29  1.0
  Sb  Sb2  1  0.59  0.0  0.57  1.0
  Sb  Sb3  1  0.0  0.0  0.58  1.0

data_BaNbSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   5.18
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   108.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNbSb2
_chemical_formula_sum   'Ba1 Nb1 Sb2'
_cell_volume   144.78
_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  0.65  0.59  0.65  1.0
  Nb  Nb1  1  0.71  0.0  0.71  1.0
  Sb  Sb2  1  0.42  0.0  0.42  1.0
  Sb  Sb3  1  0.43  0.59  0.43  1.0

Ba Nb Sb Sb
Ba Nb Sb Sb 0 2 o o o 0 1 + o o 1 3 o o o 2 3 + o o 