data_LiScOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.82
_cell_angle_alpha   100.55
_cell_angle_beta   100.55
_cell_angle_gamma   35.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScOs2
_chemical_formula_sum   'Li1 Sc1 Os2'
_cell_volume   60.68
_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  0.0  1.0
  Sc  Sc3  1  0.01  0.0  0.37  1.0
  Os  Os1  1  0.49  0.0  0.08  1.0
  Os  Os2  1  0.52  0.0  0.65  1.0

data_LiScOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.69
_cell_length_c   4.82
_cell_angle_alpha   100.55
_cell_angle_beta   90.0
_cell_angle_gamma   107.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScOs2
_chemical_formula_sum   'Li1 Sc1 Os2'
_cell_volume   60.68
_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  0.0  1.0
  Sc  Sc1  1  0.0  0.99  0.63  1.0
  Os  Os2  1  0.0  0.48  0.35  1.0
  Os  Os3  1  0.0  0.51  0.92  1.0

Li Sc Os Os