data_Sc2ZnCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ZnCu
_chemical_formula_sum   'Sc2 Zn1 Cu1'
_cell_volume   72.69
_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  0.15  0.0  0.36  1.0
  Sc  Sc2  1  0.0  0.0  0.5  1.0
  Zn  Zn3  1  0.15  0.0  0.54  1.0
  Cu  Cu0  1  0.0  0.0  0.12  1.0

data_Sc2ZnCu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sc2ZnCu
_chemical_formula_sum   'Sc2 Zn1 Cu1'
_cell_volume   72.71
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.5  1.0
  Sc  Sc1  1  0.15  0.0  0.36  1.0
  Zn  Zn2  1  0.15  0.0  0.54  1.0
  Cu  Cu3  1  0.0  0.0  0.12  1.0

Sc Sc Zn Cu