data_LiAgOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   4.4
_cell_angle_alpha   122.35
_cell_angle_beta   122.35
_cell_angle_gamma   85.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAgOs2
_chemical_formula_sum   'Li1 Ag1 Os2'
_cell_volume   57.84
_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  Li1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.12  0.61  1.0
  Os  Os2  1  0.12  0.0  0.61  1.0
  Os  Os3  1  0.0  0.0  0.22  1.0

data_LiAgOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   4.4
_cell_angle_alpha   118.82
_cell_angle_beta   118.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAgOs2
_chemical_formula_sum   'Li1 Ag1 Os2'
_cell_volume   57.84
_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
  Ag  Ag1  1  0.51  0.12  0.51  1.0
  Os  Os2  1  0.39  0.0  0.51  1.0
  Os  Os3  1  0.78  0.0  0.78  1.0

Li Ag Os Os
Li Ag Os Os 0 3 o o o 1 2 o o o 