data_ZnSb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   126.86
_cell_angle_beta   126.86
_cell_angle_gamma   78.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSb2Au
_chemical_formula_sum   'Zn1 Sb2 Au1'
_cell_volume   89.65
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.35  0.03  1.0
  Sb  Sb2  1  0.35  0.0  0.03  1.0
  Au  Au0  1  0.0  0.0  0.07  1.0

data_ZnSb2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.64
_cell_length_b   6.64
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   129.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnSb2Au
_chemical_formula_sum   'Zn2 Sb4 Au2'
_cell_volume   179.29
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zn  Zn0  2  0.0  0.0  0.0  1.0
  Sb  Sb1  4  0.14  0.17  0.32  1.0
  Au  Au2  2  0.43  0.5  0.93  1.0

Zn Sb Sb Au