data_SrCuIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.19
_cell_angle_alpha   105.86
_cell_angle_beta   105.86
_cell_angle_gamma   32.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCuIr2
_chemical_formula_sum   'Sr1 Cu1 Ir2'
_cell_volume   71.67
_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  0.24  0.0  0.49  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.94  0.0  0.95  1.0
  Ir  Ir2  1  0.53  0.0  0.03  1.0

data_SrCuIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.18
_cell_length_c   5.19
_cell_angle_alpha   105.86
_cell_angle_beta   90.0
_cell_angle_gamma   106.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCuIr2
_chemical_formula_sum   'Sr1 Cu1 Ir2'
_cell_volume   71.67
_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  0.76  0.51  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.06  0.05  1.0
  Ir  Ir3  1  0.0  0.47  0.97  1.0

Sr Cu Ir Ir