data_Li2ReOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.56
_cell_angle_alpha   99.02
_cell_angle_beta   99.02
_cell_angle_gamma   30.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ReOs
_chemical_formula_sum   'Li2 Re1 Os1'
_cell_volume   57.38
_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  0.03  0.0  0.13  1.0
  Li  Li1  1  0.83  0.0  0.37  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.43  0.0  0.25  1.0

data_Li2ReOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.56
_cell_length_c   4.98
_cell_angle_alpha   99.02
_cell_angle_beta   105.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ReOs
_chemical_formula_sum   'Li2 Re1 Os1'
_cell_volume   57.38
_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  0.13  0.03  1.0
  Li  Li1  1  0.0  0.37  0.83  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.25  0.43  1.0

Li Li Re Os