data_Sc2ZnCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   4.43
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   98.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ZnCu
_chemical_formula_sum   'Sc2 Zn1 Cu1'
_cell_volume   74.55
_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  0.58  0.21  0.56  1.0
  Sc  Sc2  1  0.36  0.0  0.75  1.0
  Zn  Zn3  1  0.79  0.21  0.3  1.0
  Cu  Cu0  1  0.82  0.0  0.95  1.0

data_Sc2ZnCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.43
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   98.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ZnCu
_chemical_formula_sum   'Sc2 Zn1 Cu1'
_cell_volume   74.55
_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  0.36  0.0  0.75  1.0
  Sc  Sc1  1  0.58  0.21  0.56  1.0
  Zn  Zn2  1  0.79  0.21  0.3  1.0
  Cu  Cu3  1  0.82  0.0  0.95  1.0

Sc Sc Zn Cu