data_ScIn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.01
_cell_angle_alpha   108.71
_cell_angle_beta   108.71
_cell_angle_gamma   42.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScIn2Sb
_chemical_formula_sum   'Sc1 In2 Sb1'
_cell_volume   99.91
_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
  Sc  Sc3  1  0.31  0.0  0.11  1.0
  In  In0  1  0.96  0.0  0.18  1.0
  In  In1  1  0.51  0.0  0.97  1.0
  Sb  Sb2  1  0.3  0.0  0.79  1.0

data_ScIn2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   5.01
_cell_length_c   5.6
_cell_angle_alpha   108.71
_cell_angle_beta   111.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScIn2Sb
_chemical_formula_sum   'Sc1 In2 Sb1'
_cell_volume   99.91
_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
  Sc  Sc0  1  0.0  0.11  0.31  1.0
  In  In1  1  0.0  0.18  0.96  1.0
  In  In2  1  0.0  0.97  0.51  1.0
  Sb  Sb3  1  0.0  0.79  0.3  1.0

Sc In In Sb