data_CdBiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   6.95
_cell_angle_alpha   97.21
_cell_angle_beta   97.21
_cell_angle_gamma   40.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBiOs2
_chemical_formula_sum   'Cd1 Bi1 Os2'
_cell_volume   85.77
_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  0.89  0.0  0.35  1.0
  Bi  Bi0  1  0.76  0.0  0.75  1.0
  Os  Os2  1  0.35  0.0  0.49  1.0
  Os  Os3  1  0.36  0.0  0.62  1.0

data_CdBiOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.4
_cell_length_c   6.95
_cell_angle_alpha   97.21
_cell_angle_beta   90.0
_cell_angle_gamma   110.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBiOs2
_chemical_formula_sum   'Cd1 Bi1 Os2'
_cell_volume   85.77
_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  0.11  0.65  1.0
  Bi  Bi1  1  0.0  0.24  0.25  1.0
  Os  Os2  1  0.0  0.64  0.38  1.0
  Os  Os3  1  0.0  0.65  0.51  1.0

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