data_Sc2ZnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.44
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ZnCr
_chemical_formula_sum   'Sc2 Zn1 Cr1'
_cell_volume   71.54
_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  0.54  0.72  0.56  1.0
  Sc  Sc2  1  0.54  0.72  0.18  1.0
  Zn  Zn3  1  0.0  0.0  0.37  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_Sc2ZnCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.44
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ZnCr
_chemical_formula_sum   'Sc2 Zn1 Cr1'
_cell_volume   71.54
_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  0.54  0.72  0.18  1.0
  Sc  Sc1  1  0.54  0.72  0.56  1.0
  Zn  Zn2  1  0.0  0.0  0.37  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

Sc Sc Zn Cr
Sc Sc Zn Cr 0 2 o + o 0 2 + + o 0 1 o o o 1 3 o + o 1 3 + + o 1 2 o + o 1 2 + + o 2 3 o o o 