data_LiScOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   139.84
_cell_angle_beta   139.84
_cell_angle_gamma   58.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScOs
_chemical_formula_sum   'Li1 Sc1 Os1'
_cell_volume   46.68
_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  0.0  0.33  1.0
  Sc  Sc2  1  0.0  0.0  0.71  1.0
  Os  Os1  1  0.0  0.0  0.88  1.0

data_LiScOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   119.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiScOs
_chemical_formula_sum   'Li2 Sc2 Os2'
_cell_volume   93.37
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.33  0.0  0.33  1.0
  Sc  Sc1  2  0.21  0.5  0.71  1.0
  Os  Os2  2  0.38  0.5  0.88  1.0

Li Sc Os