data_Li2TeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   2.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TeOs
_chemical_formula_sum   'Li2 Te1 Os1'
_cell_volume   66.74
_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  0.34  0.19  0.42  1.0
  Li  Li1  1  0.34  0.81  0.42  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.68  0.0  0.0  1.0

data_Li2TeOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   117.09
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TeOs
_chemical_formula_sum   'Li2 Te1 Os1'
_cell_volume   66.74
_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  0.42  0.34  0.19  1.0
  Li  Li1  1  0.42  0.34  0.81  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.68  0.0  1.0

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