data_SrLaIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   6.55
_cell_angle_alpha   151.42
_cell_angle_beta   135.45
_cell_angle_gamma   53.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLaIr2
_chemical_formula_sum   'Sr1 La1 Ir2'
_cell_volume   93.89
_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  0.02  1.0
  La  La2  1  0.62  0.0  0.55  1.0
  Ir  Ir0  1  0.62  0.0  0.44  1.0
  Ir  Ir1  1  0.0  0.0  0.53  1.0

data_SrLaIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.97
_cell_length_c   6.55
_cell_angle_alpha   112.28
_cell_angle_beta   104.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLaIr2
_chemical_formula_sum   'Sr1 La1 Ir2'
_cell_volume   93.89
_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  0.02  0.02  1.0
  La  La1  1  0.0  0.55  0.93  1.0
  Ir  Ir2  1  0.0  0.44  0.82  1.0
  Ir  Ir3  1  0.0  0.53  0.53  1.0

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