data_Sc2GaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   5.34
_cell_angle_alpha   110.74
_cell_angle_beta   110.74
_cell_angle_gamma   51.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2GaSb
_chemical_formula_sum   'Sc2 Ga1 Sb1'
_cell_volume   87.8
_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  Sc2  1  0.59  0.0  0.76  1.0
  Sc  Sc3  1  0.93  0.0  0.15  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.26  0.0  0.45  1.0

data_Sc2GaSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.79
_cell_length_c   5.34
_cell_angle_alpha   110.74
_cell_angle_beta   90.0
_cell_angle_gamma   115.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2GaSb
_chemical_formula_sum   'Sc2 Ga1 Sb1'
_cell_volume   87.8
_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  0.07  0.85  1.0
  Sc  Sc1  1  0.0  0.41  0.24  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.74  0.55  1.0

Sc Sc Ga Sb