data_ZnCd2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   9.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCd2Os
_chemical_formula_sum   'Zn1 Cd2 Os1'
_cell_volume   71.01
_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
  Zn  Zn3  1  0.0  0.0  0.68  1.0
  Cd  Cd0  1  0.46  0.0  0.17  1.0
  Cd  Cd1  1  0.0  0.0  0.23  1.0
  Os  Os2  1  0.46  0.0  0.78  1.0

data_ZnCd2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.85
_cell_length_b   5.03
_cell_length_c   9.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnCd2Os
_chemical_formula_sum   'Zn2 Cd4 Os2'
_cell_volume   142.08
_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
  Zn  Zn0  2  0.0  0.0  0.68  1.0
  Cd  Cd1  2  0.0  0.0  0.23  1.0
  Cd  Cd2  2  0.46  0.0  0.17  1.0
  Os  Os3  2  0.46  0.0  0.78  1.0

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