data_Cd2CoOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   2.73
_cell_angle_alpha   99.67
_cell_angle_beta   99.67
_cell_angle_gamma   117.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CoOs
_chemical_formula_sum   'Cd2 Co1 Os1'
_cell_volume   65.31
_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  0.94  0.71  0.29  1.0
  Cd  Cd1  1  0.94  0.29  0.29  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.76  0.0  0.0  1.0

data_Cd2CoOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   5.3
_cell_length_c   5.36
_cell_angle_alpha   116.78
_cell_angle_beta   99.67
_cell_angle_gamma   100.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CoOs
_chemical_formula_sum   'Cd2 Co1 Os1'
_cell_volume   65.31
_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  0.58  0.29  0.23  1.0
  Cd  Cd1  1  0.99  0.71  0.64  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.76  1.0

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