data_SrSc2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   136.1
_cell_angle_beta   136.1
_cell_angle_gamma   63.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2Sb
_chemical_formula_sum   'Sr1 Sc2 Sb1'
_cell_volume   108.37
_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
  Sr  Sr3  1  0.0  0.0  0.19  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Sc  Sc2  1  0.28  0.0  0.59  1.0
  Sb  Sb0  1  0.0  0.28  0.59  1.0

data_SrSc2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   6.11
_cell_angle_alpha   111.95
_cell_angle_beta   111.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2Sb
_chemical_formula_sum   'Sr1 Sc2 Sb1'
_cell_volume   108.37
_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
  Sr  Sr0  1  0.19  0.19  0.19  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Sc  Sc2  1  0.59  0.31  0.31  1.0
  Sb  Sb3  1  0.31  0.59  0.31  1.0

Sr Sc Sc Sb