data_CdSb2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   6.38
_cell_angle_alpha   109.77
_cell_angle_beta   109.77
_cell_angle_gamma   34.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSb2Os
_chemical_formula_sum   'Cd1 Sb2 Os1'
_cell_volume   97.85
_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  0.36  0.0  0.84  1.0
  Sb  Sb2  1  0.11  0.0  0.79  1.0
  Sb  Sb3  1  0.8  0.0  0.58  1.0
  Os  Os1  1  0.6  0.0  0.7  1.0

data_CdSb2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.35
_cell_length_c   6.38
_cell_angle_alpha   109.77
_cell_angle_beta   90.0
_cell_angle_gamma   107.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSb2Os
_chemical_formula_sum   'Cd1 Sb2 Os1'
_cell_volume   97.85
_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  0.64  0.16  1.0
  Sb  Sb1  1  0.0  0.2  0.42  1.0
  Sb  Sb2  1  0.0  0.89  0.21  1.0
  Os  Os3  1  0.0  0.4  0.3  1.0

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