data_Cd2BiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.27
_cell_angle_alpha   102.15
_cell_angle_beta   102.15
_cell_angle_gamma   36.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BiOs
_chemical_formula_sum   'Cd2 Bi1 Os1'
_cell_volume   85.87
_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  0.9  0.0  0.96  1.0
  Cd  Cd2  1  0.44  0.0  0.85  1.0
  Bi  Bi0  1  0.5  0.0  0.52  1.0
  Os  Os3  1  0.49  0.0  0.52  1.0

data_Cd2BiOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   5.27
_cell_length_c   5.31
_cell_angle_alpha   102.15
_cell_angle_beta   108.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BiOs
_chemical_formula_sum   'Cd2 Bi1 Os1'
_cell_volume   85.87
_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  0.85  0.44  1.0
  Cd  Cd1  1  0.0  0.96  0.9  1.0
  Bi  Bi2  1  0.0  0.52  0.5  1.0
  Os  Os3  1  0.0  0.52  0.49  1.0

Cd Cd Bi Os
Cd Cd Bi Os 0 3 o o o 0 2 o o o 0 1 o o o 0 1 + o o 1 3 o o o 1 2 o o o 2 3 o o o 