data_CdOs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   129.96
_cell_angle_beta   129.96
_cell_angle_gamma   73.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdOs2Au
_chemical_formula_sum   'Cd1 Os2 Au1'
_cell_volume   65.29
_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
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.05  0.0  0.94  1.0
  Os  Os3  1  0.0  0.0  0.88  1.0
  Au  Au0  1  0.0  0.05  0.94  1.0

data_CdOs2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   4.85
_cell_angle_alpha   115.02
_cell_angle_beta   115.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdOs2Au
_chemical_formula_sum   'Cd1 Os2 Au1'
_cell_volume   65.29
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.06  0.0  0.11  1.0
  Os  Os2  1  0.12  0.0  0.12  1.0
  Au  Au3  1  0.11  0.05  0.11  1.0

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