data_BaScSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   4.07
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   98.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaScSb2
_chemical_formula_sum   'Ba1 Sc1 Sb2'
_cell_volume   121.62
_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  0.35  0.0  0.14  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.03  0.04  0.55  1.0
  Sb  Sb2  1  0.29  0.04  0.73  1.0

data_BaScSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   4.07
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   98.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaScSb2
_chemical_formula_sum   'Ba1 Sc1 Sb2'
_cell_volume   121.62
_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  0.35  0.0  0.14  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.03  0.04  0.55  1.0
  Sb  Sb3  1  0.29  0.04  0.73  1.0

Ba Sc Sb Sb