data_LiBi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   3.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBi2Os
_chemical_formula_sum   'Li1 Bi2 Os1'
_cell_volume   83.89
_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  Li2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.69  0.77  0.75  1.0
  Bi  Bi1  1  0.69  0.23  0.75  1.0
  Os  Os3  1  0.39  0.0  0.0  1.0

data_LiBi2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   92.53
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBi2Os
_chemical_formula_sum   'Li1 Bi2 Os1'
_cell_volume   83.89
_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
  Bi  Bi1  1  0.75  0.69  0.23  1.0
  Bi  Bi2  1  0.75  0.69  0.77  1.0
  Os  Os3  1  0.0  0.39  0.0  1.0

Li Bi Bi Os
Li Bi Bi Os 0 1 - - - 0 2 - o - 0 3 o o o 1 3 o + + 1 2 o + o 2 3 o o + 