data_Li2ScOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   134.73
_cell_angle_beta   125.51
_cell_angle_gamma   73.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ScOs
_chemical_formula_sum   'Li2 Sc1 Os1'
_cell_volume   61.42
_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  0.84  0.0  0.13  1.0
  Li  Li1  1  0.0  0.0  0.84  1.0
  Sc  Sc3  1  0.0  0.0  0.78  1.0
  Os  Os2  1  0.84  0.0  0.73  1.0

data_Li2ScOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.37
_cell_length_c   4.77
_cell_angle_alpha   117.25
_cell_angle_beta   112.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ScOs
_chemical_formula_sum   'Li2 Sc1 Os1'
_cell_volume   61.42
_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  0.16  0.16  0.16  1.0
  Li  Li1  1  0.7  0.87  0.7  1.0
  Sc  Sc2  1  0.22  0.22  0.22  1.0
  Os  Os3  1  0.11  0.27  0.11  1.0

Li Li Sc Os