data_LiOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   149.98
_cell_angle_beta   60.41
_cell_angle_gamma   128.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiOs3
_chemical_formula_sum   'Li1 Os3'
_cell_volume   56.86
_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  0.47  1.0
  Os  Os1  1  0.37  0.0  0.27  1.0
  Os  Os2  1  0.37  0.5  0.29  1.0
  Os  Os3  1  0.0  0.07  0.57  1.0

data_LiOs3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.56
_cell_length_c   5.28
_cell_angle_alpha   115.55
_cell_angle_beta   105.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiOs3
_chemical_formula_sum   'Li1 Os3'
_cell_volume   56.86
_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  0.47  0.47  0.47  1.0
  Os  Os1  1  0.27  0.27  0.63  1.0
  Os  Os2  1  0.29  0.79  0.16  1.0
  Os  Os3  1  0.57  0.5  0.5  1.0

Li Os Os Os