data_ZrSb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.52
_cell_angle_alpha   94.45
_cell_angle_beta   94.45
_cell_angle_gamma   34.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSb2Au
_chemical_formula_sum   'Zr1 Sb2 Au1'
_cell_volume   92.5
_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
  Sb  Sb1  1  0.5  0.0  0.3  1.0
  Sb  Sb2  1  0.49  0.0  0.2  1.0
  Au  Au0  1  0.99  0.0  0.75  1.0

data_ZrSb2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.46
_cell_length_c   5.52
_cell_angle_alpha   94.45
_cell_angle_beta   90.0
_cell_angle_gamma   107.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSb2Au
_chemical_formula_sum   'Zr1 Sb2 Au1'
_cell_volume   92.5
_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
  Sb  Sb1  1  0.0  0.5  0.7  1.0
  Sb  Sb2  1  0.0  0.51  0.8  1.0
  Au  Au3  1  0.0  0.01  0.25  1.0

Zr Sb Sb Au