data_ZrBiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   4.55
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   100.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBiAu2
_chemical_formula_sum   'Zr1 Bi1 Au2'
_cell_volume   90.11
_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
  Zr  Zr3  1  0.79  0.0  0.93  1.0
  Bi  Bi2  1  0.35  0.28  0.08  1.0
  Au  Au0  1  0.47  0.28  0.03  1.0
  Au  Au1  1  0.5  0.0  0.39  1.0

data_ZrBiAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.55
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   100.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBiAu2
_chemical_formula_sum   'Zr1 Bi1 Au2'
_cell_volume   90.11
_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
  Zr  Zr0  1  0.79  0.0  0.93  1.0
  Bi  Bi1  1  0.35  0.28  0.08  1.0
  Au  Au2  1  0.47  0.28  0.03  1.0
  Au  Au3  1  0.5  0.0  0.39  1.0

Zr Bi Au Au