data_BaGaSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   6.49
_cell_angle_alpha   44.95
_cell_angle_beta   44.95
_cell_angle_gamma   44.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGaSb2
_chemical_formula_sum   'Ba1 Ga1 Sb2'
_cell_volume   124.39
_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  0.6  1.0
  Ga  Ga1  1  0.0  0.0  0.45  1.0
  Sb  Sb2  1  0.0  0.0  0.15  1.0
  Sb  Sb3  1  0.0  0.0  0.03  1.0

data_BaGaSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.6
_cell_length_b   4.96
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   116.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaGaSb2
_chemical_formula_sum   'Ba2 Ga2 Sb4'
_cell_volume   248.79
_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  0.6  1.0
  Ga  Ga1  2  -0.0  0.0  0.45  1.0
  Sb  Sb2  2  0.0  0.0  0.03  1.0
  Sb  Sb3  2  0.0  0.0  0.15  1.0

Ba Ga Sb Sb
Ba Ga Sb Sb 0 1 o o o 2 3 o o o 