data_Ba5Sb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.14
_cell_length_b   10.14
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba5Sb3
_chemical_formula_sum   'Ba10 Sb6'
_cell_volume   705.25
_cell_formula_units_Z   2
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  0.07  0.93  0.0  1.0
  Ba  Ba1  1  0.0  0.86  0.0  1.0
  Ba  Ba2  1  0.51  0.0  0.98  1.0
  Ba  Ba3  1  0.31  0.28  0.98  1.0
  Ba  Ba4  1  0.24  0.51  0.98  1.0
  Ba  Ba5  1  0.07  0.93  0.96  1.0
  Ba  Ba6  1  0.0  0.86  0.96  1.0
  Ba  Ba7  1  0.63  0.0  0.93  1.0
  Ba  Ba8  1  0.69  0.28  0.93  1.0
  Ba  Ba9  1  0.76  0.51  0.93  1.0
  Sb  Sb10  1  0.96  0.0  0.98  1.0
  Sb  Sb11  1  0.02  0.43  0.98  1.0
  Sb  Sb12  1  0.09  0.36  0.98  1.0
  Sb  Sb13  1  0.19  0.0  0.93  1.0
  Sb  Sb14  1  0.98  0.43  0.93  1.0
  Sb  Sb15  1  0.91  0.36  0.93  1.0

data_Ba5Sb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.91
_cell_length_b   10.14
_cell_length_c   10.14
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba5Sb3
_chemical_formula_sum   'Ba10 Sb6'
_cell_volume   705.25
_cell_formula_units_Z   2
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  0.86  1.0
  Ba  Ba1  1  0.0  0.07  0.93  1.0
  Ba  Ba2  1  0.93  0.63  0.0  1.0
  Ba  Ba3  1  0.93  0.69  0.28  1.0
  Ba  Ba4  1  0.93  0.76  0.51  1.0
  Ba  Ba5  1  0.96  0.0  0.86  1.0
  Ba  Ba6  1  0.96  0.07  0.93  1.0
  Ba  Ba7  1  0.98  0.24  0.51  1.0
  Ba  Ba8  1  0.98  0.31  0.28  1.0
  Ba  Ba9  1  0.98  0.51  0.0  1.0
  Sb  Sb10  1  0.93  0.19  0.0  1.0
  Sb  Sb11  1  0.93  0.91  0.36  1.0
  Sb  Sb12  1  0.93  0.98  0.43  1.0
  Sb  Sb13  1  0.98  0.02  0.43  1.0
  Sb  Sb14  1  0.98  0.09  0.36  1.0
  Sb  Sb15  1  0.98  0.96  0.0  1.0

Ba Ba Ba Ba Ba Ba Ba Ba Ba Ba Sb Sb Sb Sb Sb Sb