data_AlCdOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.21
_cell_length_b   9.21
_cell_length_c   9.21
_cell_angle_alpha   17.62
_cell_angle_beta   17.62
_cell_angle_gamma   17.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCdOs2
_chemical_formula_sum   'Al1 Cd1 Os2'
_cell_volume   62.47
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.59  1.0
  Os  Os2  1  0.0  0.0  0.03  1.0
  Os  Os3  1  0.0  0.0  0.16  1.0

data_AlCdOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.89
_cell_length_b   2.82
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   100.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlCdOs2
_chemical_formula_sum   'Al2 Cd2 Os4'
_cell_volume   124.94
_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
  Al  Al0  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.41  1.0
  Os  Os2  2  0.0  0.0  0.84  1.0
  Os  Os3  2  0.0  0.0  0.97  1.0

Al Cd Os Os
Al Cd Os Os 0 2 o o o 1 1 o + - 1 1 + - o 1 1 + o - 2 3 o o o 