data_CrAu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   4.32
_cell_angle_alpha   108.07
_cell_angle_beta   108.07
_cell_angle_gamma   28.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrAu2Cl
_chemical_formula_sum   'Cr1 Au2 Cl1'
_cell_volume   77.1
_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
  Cr  Cr3  1  0.41  0.0  0.05  1.0
  Au  Au0  1  0.17  0.0  0.15  1.0
  Au  Au1  1  0.64  0.0  0.94  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_CrAu2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.32
_cell_length_c   6.29
_cell_angle_alpha   108.07
_cell_angle_beta   104.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrAu2Cl
_chemical_formula_sum   'Cr1 Au2 Cl1'
_cell_volume   77.1
_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
  Cr  Cr0  1  0.0  0.05  0.41  1.0
  Au  Au1  1  0.0  0.15  0.17  1.0
  Au  Au2  1  0.0  0.94  0.64  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Cr Au Au Cl
Cr Au Au Cl 0 1 o o o 0 2 o o - 1 3 o o o 