data_SrSb2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   4.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSb2Ir
_chemical_formula_sum   'Sr1 Sb2 Ir1'
_cell_volume   109.74
_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
  Sb  Sb1  1  0.98  0.57  0.14  1.0
  Sb  Sb2  1  0.98  0.43  0.14  1.0
  Ir  Ir0  1  0.98  0.0  0.0  1.0

data_SrSb2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   110.56
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSb2Ir
_chemical_formula_sum   'Sr1 Sb2 Ir1'
_cell_volume   109.74
_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  0.0  0.0  1.0
  Sb  Sb1  1  0.14  0.98  0.43  1.0
  Sb  Sb2  1  0.14  0.98  0.57  1.0
  Ir  Ir3  1  0.0  0.98  0.0  1.0

Sr Sb Sb Ir
Sr Sb Sb Ir 0 3 - o o 1 2 o o o 