data_Sc2SiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   133.69
_cell_angle_beta   118.85
_cell_angle_gamma   80.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SiSb
_chemical_formula_sum   'Sc2 Si1 Sb1'
_cell_volume   84.46
_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  Sc1  1  0.03  0.0  0.84  1.0
  Sc  Sc2  1  0.0  0.63  0.12  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Sb  Sb0  1  0.0  0.0  0.96  1.0

data_Sc2SiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   61.15
_cell_angle_beta   66.85
_cell_angle_gamma   66.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SiSb
_chemical_formula_sum   'Sc2 Si1 Sb1'
_cell_volume   84.46
_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  0.12  0.0  0.51  1.0
  Sc  Sc1  1  0.81  0.03  0.16  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.96  0.0  0.04  1.0

Sc Sc Si Sb