data_SrLiIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   5.77
_cell_angle_alpha   97.7
_cell_angle_beta   97.7
_cell_angle_gamma   34.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiIr2
_chemical_formula_sum   'Sr1 Li1 Ir2'
_cell_volume   74.9
_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  0.16  0.0  0.86  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.7  0.0  0.68  1.0
  Ir  Ir1  1  0.61  0.0  0.04  1.0

data_SrLiIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.78
_cell_length_c   5.77
_cell_angle_alpha   97.7
_cell_angle_beta   90.0
_cell_angle_gamma   107.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiIr2
_chemical_formula_sum   'Sr1 Li1 Ir2'
_cell_volume   74.9
_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  Sr0  1  0.0  0.84  0.14  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.3  0.32  1.0
  Ir  Ir3  1  0.0  0.39  0.96  1.0

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