data_BaSiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.82
_cell_length_b   8.82
_cell_length_c   8.82
_cell_angle_alpha   26.93
_cell_angle_beta   26.93
_cell_angle_gamma   26.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSiSb2
_chemical_formula_sum   'Ba1 Si1 Sb2'
_cell_volume   123.99
_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  0.74  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.92  1.0
  Sb  Sb2  1  0.0  0.0  0.55  1.0

data_BaSiSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.11
_cell_length_b   4.11
_cell_length_c   8.82
_cell_angle_alpha   90.0
_cell_angle_beta   105.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaSiSb2
_chemical_formula_sum   'Ba2 Si2 Sb4'
_cell_volume   247.98
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.26  1.0
  Si  Si1  2  -0.0  0.0  0.0  1.0
  Sb  Sb2  2  -0.0  0.0  0.45  1.0
  Sb  Sb3  2  -0.0  0.0  0.08  1.0

Ba Si Sb Sb