data_ZrSc2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47
_cell_length_b   4.79
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   98.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc2Sb
_chemical_formula_sum   'Zr1 Sc2 Sb1'
_cell_volume   91.85
_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
  Zr  Zr3  1  0.38  0.0  0.08  1.0
  Sc  Sc1  1  0.49  0.0  0.18  1.0
  Sc  Sc2  1  0.33  0.4  0.07  1.0
  Sb  Sb0  1  0.74  0.4  0.96  1.0

data_ZrSc2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.79
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   98.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc2Sb
_chemical_formula_sum   'Zr1 Sc2 Sb1'
_cell_volume   91.85
_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
  Zr  Zr0  1  0.38  0.0  0.08  1.0
  Sc  Sc1  1  0.33  0.4  0.07  1.0
  Sc  Sc2  1  0.49  0.0  0.18  1.0
  Sb  Sb3  1  0.74  0.4  0.96  1.0

Zr Sc Sc Sb
Zr Sc Sc Sb 0 1 o o o 0 2 o o o 1 2 o o o 2 3 - o - 2 3 o o - 