data_CrOsAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.77
_cell_angle_alpha   99.52
_cell_angle_beta   99.52
_cell_angle_gamma   32.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrOsAu2
_chemical_formula_sum   'Cr1 Os1 Au2'
_cell_volume   61.82
_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  Cr2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.31  0.0  0.35  1.0
  Au  Au0  1  0.75  0.0  0.54  1.0
  Au  Au1  1  0.87  0.0  0.16  1.0

data_CrOsAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.77
_cell_length_c   4.92
_cell_angle_alpha   99.52
_cell_angle_beta   106.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrOsAu2
_chemical_formula_sum   'Cr1 Os1 Au2'
_cell_volume   61.82
_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  0.0  0.0  1.0
  Os  Os1  1  0.0  0.35  0.31  1.0
  Au  Au2  1  0.0  0.16  0.87  1.0
  Au  Au3  1  0.0  0.54  0.75  1.0

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