data_SrLiIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.26
_cell_length_b   10.26
_cell_length_c   10.26
_cell_angle_alpha   16.26
_cell_angle_beta   16.26
_cell_angle_gamma   16.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiIr2
_chemical_formula_sum   'Sr1 Li1 Ir2'
_cell_volume   73.91
_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
  Sr  Sr3  1  0.0  0.0  0.82  1.0
  Li  Li2  1  0.0  0.0  0.7  1.0
  Ir  Ir0  1  0.0  0.0  0.33  1.0
  Ir  Ir1  1  0.0  0.0  0.71  1.0

data_SrLiIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.03
_cell_length_b   2.9
_cell_length_c   10.26
_cell_angle_alpha   90.0
_cell_angle_beta   99.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrLiIr2
_chemical_formula_sum   'Sr2 Li2 Ir4'
_cell_volume   147.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sr  Sr0  2  0.0  0.0  0.18  1.0
  Li  Li1  2  0.0  0.0  0.3  1.0
  Ir  Ir2  2  -0.0  0.0  0.67  1.0
  Ir  Ir3  2  0.0  0.0  0.29  1.0

Sr Li Ir Ir
Sr Li Ir Ir 0 3 o o o 0 1 o o o 1 3 o o o 2 2 o + - 2 2 + - o 2 2 + o - 