data_SrSbIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   6.21
_cell_angle_alpha   110.58
_cell_angle_beta   110.58
_cell_angle_gamma   60.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSbIr2
_chemical_formula_sum   'Sr1 Sb1 Ir2'
_cell_volume   96.66
_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  0.03  0.0  0.22  1.0
  Sb  Sb2  1  0.6  0.0  0.51  1.0
  Ir  Ir0  1  0.15  0.0  0.75  1.0
  Ir  Ir1  1  0.04  0.0  0.7  1.0

data_SrSbIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   6.21
_cell_angle_alpha   69.42
_cell_angle_beta   69.42
_cell_angle_gamma   60.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSbIr2
_chemical_formula_sum   'Sr1 Sb1 Ir2'
_cell_volume   96.66
_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  0.97  0.0  0.22  1.0
  Sb  Sb1  1  0.4  0.0  0.51  1.0
  Ir  Ir2  1  0.85  0.0  0.75  1.0
  Ir  Ir3  1  0.96  0.0  0.7  1.0

Sr Sb Ir Ir