data_SrZn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   120.76
_cell_angle_beta   120.76
_cell_angle_gamma   88.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZn2Au
_chemical_formula_sum   'Sr1 Zn2 Au1'
_cell_volume   90.67
_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
  Sr  Sr1  1  0.0  0.0  0.62  1.0
  Zn  Zn2  1  0.0  0.5  0.81  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.5  0.0  0.81  1.0

data_SrZn2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.06
_cell_angle_alpha   119.62
_cell_angle_beta   119.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZn2Au
_chemical_formula_sum   'Sr1 Zn2 Au1'
_cell_volume   90.67
_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
  Sr  Sr0  1  0.62  0.62  0.62  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.31  0.81  0.31  1.0
  Au  Au3  1  0.81  0.31  0.31  1.0

Sr Zn Zn Au
Sr Zn Zn Au 0 1 o o o 0 3 o o o 0 2 o o + 1 2 o + + 2 3 - o - 