data_Li2ScOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   5.5
_cell_angle_alpha   95.05
_cell_angle_beta   95.05
_cell_angle_gamma   34.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ScOs
_chemical_formula_sum   'Li2 Sc1 Os1'
_cell_volume   66.28
_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  0.03  0.0  0.18  1.0
  Li  Li1  1  0.56  0.0  0.38  1.0
  Sc  Sc3  1  0.81  0.0  0.91  1.0
  Os  Os2  1  0.19  0.0  0.74  1.0

data_Li2ScOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.65
_cell_length_c   5.5
_cell_angle_alpha   95.05
_cell_angle_beta   90.0
_cell_angle_gamma   107.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ScOs
_chemical_formula_sum   'Li2 Sc1 Os1'
_cell_volume   66.28
_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  0.44  0.62  1.0
  Li  Li1  1  0.0  0.97  0.82  1.0
  Sc  Sc2  1  0.0  0.19  0.09  1.0
  Os  Os3  1  0.0  0.81  0.26  1.0

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