data_SrLi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   125.04
_cell_angle_beta   125.04
_cell_angle_gamma   81.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi2Ir
_chemical_formula_sum   'Sr1 Li2 Ir1'
_cell_volume   75.41
_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  0.0  1.0
  Li  Li1  1  0.0  0.26  0.85  1.0
  Li  Li2  1  0.26  0.0  0.85  1.0
  Ir  Ir0  1  0.0  0.0  0.7  1.0

data_SrLi2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   130.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrLi2Ir
_chemical_formula_sum   'Sr2 Li4 Ir2'
_cell_volume   150.81
_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  0.0  1.0
  Li  Li1  4  0.28  0.13  0.4  1.0
  Ir  Ir2  2  0.3  0.0  0.3  1.0

Sr Li Li Ir