data_ScNiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   138.02
_cell_angle_beta   133.0
_cell_angle_gamma   64.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNiSb
_chemical_formula_sum   'Sc1 Ni1 Sb1'
_cell_volume   57.31
_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  0.0  0.0  0.8  1.0
  Ni  Ni0  1  0.0  0.0  0.23  1.0
  Sb  Sb1  1  0.0  0.0  0.57  1.0

data_ScNiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   3.92
_cell_length_c   4.92
_cell_angle_alpha   113.5
_cell_angle_beta   110.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNiSb
_chemical_formula_sum   'Sc1 Ni1 Sb1'
_cell_volume   57.31
_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  0.8  0.8  1.0
  Ni  Ni1  1  0.0  0.23  0.23  1.0
  Sb  Sb2  1  0.0  0.57  0.57  1.0

Sc Ni Sb
Sc Ni Sb 0 2 o o o 1 2 o o o 