data_Ba2SiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94
_cell_length_b   6.94
_cell_length_c   6.94
_cell_angle_alpha   144.15
_cell_angle_beta   135.3
_cell_angle_gamma   58.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SiSb
_chemical_formula_sum   'Ba2 Si1 Sb1'
_cell_volume   136.68
_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  0.88  1.0
  Ba  Ba1  1  0.0  0.0  0.16  1.0
  Si  Si3  1  0.0  0.0  0.5  1.0
  Sb  Sb2  1  0.0  0.64  0.63  1.0

data_Ba2SiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   5.28
_cell_length_c   6.94
_cell_angle_alpha   112.35
_cell_angle_beta   107.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SiSb
_chemical_formula_sum   'Ba2 Si1 Sb1'
_cell_volume   136.68
_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  0.16  0.16  1.0
  Ba  Ba1  1  0.36  0.24  0.24  1.0
  Si  Si2  1  0.0  0.5  0.5  1.0
  Sb  Sb3  1  0.36  0.99  0.99  1.0

Ba Ba Si Sb