data_SrCdIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   4.7
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   101.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCdIr2
_chemical_formula_sum   'Sr1 Cd1 Ir2'
_cell_volume   82.62
_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
  Cd  Cd0  1  0.88  0.0  0.97  1.0
  Ir  Ir1  1  0.1  0.35  0.1  1.0
  Ir  Ir2  1  0.67  0.35  0.85  1.0

data_SrCdIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.7
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   101.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCdIr2
_chemical_formula_sum   'Sr1 Cd1 Ir2'
_cell_volume   82.62
_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
  Cd  Cd1  1  0.88  0.0  0.97  1.0
  Ir  Ir2  1  0.1  0.35  0.1  1.0
  Ir  Ir3  1  0.67  0.35  0.85  1.0

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