data_Li2SnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.7
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2SnIr
_chemical_formula_sum   'Li2 Sn1 Ir1'
_cell_volume   65.88
_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  0.91  0.0  0.7  1.0
  Li  Li2  1  0.52  0.85  0.33  1.0
  Sn  Sn3  1  0.05  0.0  0.01  1.0
  Ir  Ir0  1  0.49  0.85  0.31  1.0

data_Li2SnIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.7
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2SnIr
_chemical_formula_sum   'Li2 Sn1 Ir1'
_cell_volume   65.88
_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  0.52  0.85  0.33  1.0
  Li  Li1  1  0.91  0.0  0.7  1.0
  Sn  Sn2  1  0.05  0.0  0.01  1.0
  Ir  Ir3  1  0.49  0.85  0.31  1.0

Li Li Sn Ir