data_Cd2CoOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CoOs
_chemical_formula_sum   'Cd2 Co1 Os1'
_cell_volume   65.2
_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  0.39  0.39  0.47  1.0
  Cd  Cd1  1  0.39  0.39  0.02  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.24  1.0

data_Cd2CoOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2CoOs
_chemical_formula_sum   'Cd4 Co2 Os2'
_cell_volume   130.4
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.39  0.0  0.02  1.0
  Cd  Cd1  2  0.39  0.0  0.47  1.0
  Co  Co2  2  0.0  0.0  0.0  1.0
  Os  Os3  2  0.0  0.0  0.24  1.0

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