data_Li2GeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.56
_cell_length_b   4.4
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   91.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GeOs
_chemical_formula_sum   'Li2 Ge1 Os1'
_cell_volume   56.79
_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
  Li  Li1  1  0.22  0.2  0.99  1.0
  Li  Li2  1  0.14  0.0  0.33  1.0
  Ge  Ge0  1  0.83  0.0  0.77  1.0
  Os  Os3  1  0.9  0.2  0.51  1.0

data_Li2GeOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   4.4
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   91.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GeOs
_chemical_formula_sum   'Li2 Ge1 Os1'
_cell_volume   56.79
_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
  Li  Li0  1  0.14  0.0  0.33  1.0
  Li  Li1  1  0.22  0.2  0.99  1.0
  Ge  Ge2  1  0.83  0.0  0.77  1.0
  Os  Os3  1  0.9  0.2  0.51  1.0

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