data_ScZnAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   123.0
_cell_angle_beta   120.6
_cell_angle_gamma   86.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZnAu2
_chemical_formula_sum   'Sc1 Zn1 Au2'
_cell_volume   71.49
_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  Sc2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.42  1.0
  Au  Au0  1  0.25  0.0  0.77  1.0
  Au  Au1  1  0.0  0.33  0.65  1.0

data_ScZnAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.66
_cell_length_c   4.71
_cell_angle_alpha   119.7
_cell_angle_beta   118.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZnAu2
_chemical_formula_sum   'Sc1 Zn1 Au2'
_cell_volume   71.49
_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  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.42  0.42  1.0
  Au  Au2  1  0.0  0.77  0.52  1.0
  Au  Au3  1  0.67  0.32  0.32  1.0

Sc Zn Au Au
Sc Zn Au Au 0 2 o o - 0 1 o o o 1 3 o o o 1 2 o o o 