data_CdAgOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   4.78
_cell_angle_alpha   99.18
_cell_angle_beta   99.18
_cell_angle_gamma   31.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAgOs2
_chemical_formula_sum   'Cd1 Ag1 Os2'
_cell_volume   65.04
_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  0.54  0.0  0.36  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.21  0.0  0.18  1.0
  Os  Os3  1  0.87  0.0  0.53  1.0

data_CdAgOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.78
_cell_length_c   5.13
_cell_angle_alpha   99.18
_cell_angle_beta   105.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAgOs2
_chemical_formula_sum   'Cd1 Ag1 Os2'
_cell_volume   65.04
_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  0.36  0.54  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.18  0.21  1.0
  Os  Os3  1  0.0  0.53  0.87  1.0

Cd Ag Os Os
Cd Ag Os Os 0 2 o o o 0 3 o o o 1 2 o o o 