data_CdSb2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   6.86
_cell_angle_alpha   153.3
_cell_angle_beta   139.26
_cell_angle_gamma   49.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSb2Os
_chemical_formula_sum   'Cd1 Sb2 Os1'
_cell_volume   94.38
_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
  Sb  Sb2  1  0.58  0.0  0.05  1.0
  Sb  Sb3  1  0.0  0.39  0.19  1.0
  Os  Os1  1  0.0  0.0  0.23  1.0

data_CdSb2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.78
_cell_length_c   6.86
_cell_angle_alpha   110.37
_cell_angle_beta   103.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSb2Os
_chemical_formula_sum   'Cd1 Sb2 Os1'
_cell_volume   94.38
_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
  Sb  Sb1  1  0.0  0.05  0.46  1.0
  Sb  Sb2  1  0.61  0.8  0.8  1.0
  Os  Os3  1  0.0  0.23  0.23  1.0

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