data_Cr2Os2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   142.53
_cell_angle_beta   142.53
_cell_angle_gamma   54.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Os2Au
_chemical_formula_sum   'Cr2 Os2 Au1'
_cell_volume   79.49
_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  Cr1  1  0.0  0.93  0.67  1.0
  Cr  Cr2  1  0.93  0.0  0.67  1.0
  Os  Os3  1  0.0  0.0  0.61  1.0
  Os  Os4  1  0.0  0.0  0.09  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_Cr2Os2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   117.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2Os2Au
_chemical_formula_sum   'Cr4 Os4 Au2'
_cell_volume   158.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.46  0.46  0.25  1.0
  Os  Os1  2  0.0  0.0  0.39  1.0
  Os  Os2  2  0.0  0.0  0.91  1.0
  Au  Au3  2  0.0  0.0  0.0  1.0

Cr Cr Os Os Au
Cr Cr Os Os Au 0 1 - + o 0 2 o + o 1 2 + o o 3 4 o o o 