data_Li2ZnOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.92
_cell_angle_alpha   96.95
_cell_angle_beta   96.95
_cell_angle_gamma   31.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ZnOs
_chemical_formula_sum   'Li2 Zn1 Os1'
_cell_volume   56.17
_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  0.45  0.0  0.82  1.0
  Li  Li1  1  0.78  0.0  0.67  1.0
  Zn  Zn3  1  0.64  0.0  0.38  1.0
  Os  Os2  1  0.21  0.0  0.34  1.0

data_Li2ZnOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.53
_cell_length_b   4.72
_cell_length_c   4.92
_cell_angle_alpha   96.95
_cell_angle_beta   90.0
_cell_angle_gamma   105.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ZnOs
_chemical_formula_sum   'Li2 Zn1 Os1'
_cell_volume   56.17
_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  0.0  0.22  0.33  1.0
  Li  Li1  1  0.0  0.55  0.18  1.0
  Zn  Zn2  1  0.0  0.36  0.62  1.0
  Os  Os3  1  0.0  0.79  0.66  1.0

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