data_ZrInAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   5.67
_cell_angle_alpha   99.85
_cell_angle_beta   99.85
_cell_angle_gamma   38.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInAu2
_chemical_formula_sum   'Zr1 In1 Au2'
_cell_volume   83.28
_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  0.0  0.0  0.0  1.0
  In  In2  1  0.1  0.0  0.79  1.0
  Au  Au0  1  0.57  0.0  0.27  1.0
  Au  Au1  1  0.63  0.0  0.31  1.0

data_ZrInAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.89
_cell_length_c   5.67
_cell_angle_alpha   99.85
_cell_angle_beta   90.0
_cell_angle_gamma   109.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInAu2
_chemical_formula_sum   'Zr1 In1 Au2'
_cell_volume   83.28
_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  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.9  0.21  1.0
  Au  Au2  1  0.0  0.37  0.69  1.0
  Au  Au3  1  0.0  0.43  0.73  1.0

Zr In Au Au