data_ScNi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.11
_cell_angle_alpha   104.46
_cell_angle_beta   104.46
_cell_angle_gamma   46.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNi2Sb
_chemical_formula_sum   'Sc1 Ni2 Sb1'
_cell_volume   65.26
_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  0.37  0.0  0.84  1.0
  Ni  Ni0  1  0.1  0.0  0.17  1.0
  Ni  Ni1  1  0.22  0.0  0.69  1.0
  Sb  Sb2  1  0.79  0.0  0.24  1.0

data_ScNi2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   4.11
_cell_length_c   4.77
_cell_angle_alpha   104.46
_cell_angle_beta   113.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNi2Sb
_chemical_formula_sum   'Sc1 Ni2 Sb1'
_cell_volume   65.26
_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  0.84  0.37  1.0
  Ni  Ni1  1  0.0  0.17  0.1  1.0
  Ni  Ni2  1  0.0  0.69  0.22  1.0
  Sb  Sb3  1  0.0  0.24  0.79  1.0

Sc Ni Ni Sb