data_Zr2AuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   4.88
_cell_angle_alpha   110.66
_cell_angle_beta   110.66
_cell_angle_gamma   31.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AuCl
_chemical_formula_sum   'Zr2 Au1 Cl1'
_cell_volume   81.36
_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  Zr2  1  0.07  0.0  0.26  1.0
  Zr  Zr3  1  0.69  0.0  0.23  1.0
  Au  Au0  1  0.67  0.0  0.46  1.0
  Cl  Cl1  1  0.85  0.0  0.86  1.0

data_Zr2AuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.88
_cell_length_c   5.87
_cell_angle_alpha   110.66
_cell_angle_beta   105.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AuCl
_chemical_formula_sum   'Zr2 Au1 Cl1'
_cell_volume   81.36
_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  0.23  0.69  1.0
  Zr  Zr1  1  0.0  0.26  0.07  1.0
  Au  Au2  1  0.0  0.46  0.67  1.0
  Cl  Cl3  1  0.0  0.86  0.85  1.0

Zr Zr Au Cl