data_LiBiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   3.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBiOs
_chemical_formula_sum   'Li1 Bi1 Os1'
_cell_volume   57.96
_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  0.01  1.0
  Bi  Bi0  1  0.32  0.34  0.64  1.0
  Os  Os2  1  0.0  0.68  0.56  1.0

data_LiBiOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBiOs
_chemical_formula_sum   'Li1 Bi1 Os1'
_cell_volume   57.96
_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  0.01  0.0  0.0  1.0
  Bi  Bi1  1  0.64  0.32  0.34  1.0
  Os  Os2  1  0.56  0.0  0.68  1.0

Li Bi Os
Li Bi Os 0 2 o - - 0 2 o - o 0 1 o o - 