data_Li4H6Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   89.83
_cell_angle_beta   89.83
_cell_angle_gamma   89.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4H6Os
_chemical_formula_sum   'Li8 H12 Os2'
_cell_volume   177.36
_cell_formula_units_Z   2
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  Li12  1  0.5  0.26  0.07  1.0
  Li  Li13  1  0.53  0.97  0.69  1.0
  Li  Li14  1  0.0  0.0  0.44  1.0
  Li  Li15  1  0.03  0.71  0.07  1.0
  Li  Li16  1  0.97  0.29  0.69  1.0
  Li  Li17  1  0.47  0.03  0.07  1.0
  Li  Li18  1  0.0  0.0  0.32  1.0
  Li  Li19  1  0.5  0.74  0.69  1.0
  H  H0  1  0.47  0.05  0.51  1.0
  H  H1  1  0.06  0.47  0.25  1.0
  H  H2  1  0.06  0.95  0.88  1.0
  H  H3  1  0.41  0.58  0.25  1.0
  H  H4  1  0.56  0.34  0.88  1.0
  H  H5  1  0.62  0.29  0.88  1.0
  H  H6  1  0.38  0.71  0.88  1.0
  H  H7  1  0.44  0.66  0.88  1.0
  H  H8  1  0.59  0.42  0.51  1.0
  H  H9  1  0.94  0.05  0.88  1.0
  H  H10  1  0.94  0.53  0.51  1.0
  H  H11  1  0.53  0.95  0.25  1.0
  Os  Os20  1  0.0  0.0  0.0  1.0
  Os  Os21  1  0.0  0.0  0.88  1.0

data_Li4H6Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   89.83
_cell_angle_beta   89.83
_cell_angle_gamma   89.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4H6Os
_chemical_formula_sum   'Li8 H12 Os2'
_cell_volume   177.36
_cell_formula_units_Z   2
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  0.0  0.32  1.0
  Li  Li1  1  0.0  0.0  0.44  1.0
  Li  Li2  1  0.03  0.71  0.07  1.0
  Li  Li3  1  0.47  0.03  0.07  1.0
  Li  Li4  1  0.5  0.74  0.69  1.0
  Li  Li5  1  0.5  0.26  0.07  1.0
  Li  Li6  1  0.53  0.97  0.69  1.0
  Li  Li7  1  0.97  0.29  0.69  1.0
  Os  Os8  1  0.0  0.0  0.0  1.0
  Os  Os9  1  0.0  0.0  0.88  1.0
  H  H10  1  0.06  0.47  0.25  1.0
  H  H11  1  0.06  0.95  0.88  1.0
  H  H12  1  0.38  0.71  0.88  1.0
  H  H13  1  0.41  0.58  0.25  1.0
  H  H14  1  0.44  0.66  0.88  1.0
  H  H15  1  0.47  0.05  0.51  1.0
  H  H16  1  0.53  0.95  0.25  1.0
  H  H17  1  0.56  0.34  0.88  1.0
  H  H18  1  0.59  0.42  0.51  1.0
  H  H19  1  0.62  0.29  0.88  1.0
  H  H20  1  0.94  0.05  0.88  1.0
  H  H21  1  0.94  0.53  0.51  1.0

Li Li Li Li Li Li Li Li H H H H H H H H H H H H Os Os
Li Li Li Li Li Li Li Li H H H H H H H H H H H H Os Os 0 5 o o o 0 13 o o - 0 12 o o - 0 11 o o o 1 7 o o o 1 8 o + o 2 6 o o o 3 20 o + o 3 21 o + - 3 9 o o o 3 10 o o - 4 17 o o o 4 18 o o o 4 21 + o o 5 19 o - o 7 15 o o o 7 14 o o o 7 16 o o o 8 16 o o o 9 18 - o o 9 11 o o o 10 21 o + o 10 20 o + + 11 14 o o - 11 16 o o o 11 15 o o - 11 19 o o o 12 13 o o o 12 16 o o o 13 16 o o o 14 15 o o o 16 18 o o o 17 21 + o o 17 20 + o + 20 21 o o - 