data_ZnGe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   9.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGe2Os
_chemical_formula_sum   'Zn1 Ge2 Os1'
_cell_volume   67.74
_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  0.52  1.0
  Ge  Ge0  1  0.49  0.0  0.22  1.0
  Ge  Ge1  1  0.0  0.0  0.7  1.0
  Os  Os2  1  0.49  0.0  0.68  1.0

data_ZnGe2Os
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.84
_cell_length_b   9.41
_cell_length_c   2.84
_cell_angle_alpha   90.0
_cell_angle_beta   116.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   ZnGe2Os
_chemical_formula_sum   'Zn1 Ge2 Os1'
_cell_volume   67.74
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Zn0  1  0.0  0.48  0.0  1.0
  Ge  Ge1  1  0.0  0.3  0.0  1.0
  Ge  Ge2  1  0.5  0.78  0.0  1.0
  Os  Os3  1  0.5  0.32  0.0  1.0

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