data_LiRe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   4.23
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   98.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRe2Os
_chemical_formula_sum   'Li1 Re2 Os1'
_cell_volume   56.3
_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  0.94  0.0  0.43  1.0
  Re  Re2  1  0.88  0.0  0.89  1.0
  Re  Re3  1  0.89  0.11  0.34  1.0
  Os  Os1  1  0.31  0.11  0.67  1.0

data_LiRe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.23
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   98.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRe2Os
_chemical_formula_sum   'Li1 Re2 Os1'
_cell_volume   56.3
_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  0.94  0.0  0.43  1.0
  Re  Re1  1  0.88  0.0  0.89  1.0
  Re  Re2  1  0.89  0.11  0.34  1.0
  Os  Os3  1  0.31  0.11  0.67  1.0

Li Re Re Os
Li Re Re Os 0 2 o o o 0 3 + o o 1 3 o o o 1 3 + o o 2 3 + o o 