data_ScZn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   4.42
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   95.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn2Au
_chemical_formula_sum   'Sc1 Zn2 Au1'
_cell_volume   73.1
_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  0.44  0.0  0.94  1.0
  Zn  Zn2  1  0.5  0.21  0.06  1.0
  Zn  Zn3  1  0.16  0.0  0.26  1.0
  Au  Au0  1  0.96  0.21  0.75  1.0

data_ScZn2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.42
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   95.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn2Au
_chemical_formula_sum   'Sc1 Zn2 Au1'
_cell_volume   73.1
_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  0.44  0.0  0.94  1.0
  Zn  Zn1  1  0.16  0.0  0.26  1.0
  Zn  Zn2  1  0.5  0.21  0.06  1.0
  Au  Au3  1  0.96  0.21  0.75  1.0

Sc Zn Zn Au