data_Sr2IrRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   6.16
_cell_angle_alpha   102.03
_cell_angle_beta   102.03
_cell_angle_gamma   42.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2IrRh
_chemical_formula_sum   'Sr2 Ir1 Rh1'
_cell_volume   97.19
_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  Sr2  1  0.26  0.0  0.5  1.0
  Sr  Sr3  1  0.53  0.0  0.5  1.0
  Ir  Ir0  1  0.89  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0

data_Sr2IrRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.91
_cell_length_c   6.16
_cell_angle_alpha   102.03
_cell_angle_beta   90.0
_cell_angle_gamma   111.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2IrRh
_chemical_formula_sum   'Sr2 Ir1 Rh1'
_cell_volume   97.19
_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  0.47  0.5  1.0
  Sr  Sr1  1  0.0  0.74  0.5  1.0
  Ir  Ir2  1  0.0  0.11  1.0  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

Sr Sr Ir Rh
Sr Sr Ir Rh 0 1 o o o 2 3 + o o 