data_Cu4Ir5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   6.01
_cell_angle_alpha   95.59
_cell_angle_beta   95.59
_cell_angle_gamma   143.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu4Ir5
_chemical_formula_sum   'Cu4 Ir5'
_cell_volume   122.48
_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
  Cu  Cu0  1  0.0  0.73  0.0  1.0
  Cu  Cu1  1  0.0  0.35  0.0  1.0
  Cu  Cu2  1  0.73  0.0  0.0  1.0
  Cu  Cu3  1  0.35  0.0  0.0  1.0
  Ir  Ir4  1  0.0  0.0  0.0  1.0
  Ir  Ir5  1  0.7  0.7  0.0  1.0
  Ir  Ir6  1  0.66  0.34  0.88  1.0
  Ir  Ir7  1  0.34  0.66  0.88  1.0
  Ir  Ir8  1  0.34  0.34  0.88  1.0

data_Cu4Ir5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.75
_cell_length_b   11.43
_cell_length_c   6.01
_cell_angle_alpha   90.0
_cell_angle_beta   108.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu4Ir5
_chemical_formula_sum   'Cu8 Ir10'
_cell_volume   244.95
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Cu  Cu0  4  0.13  0.13  -0.0  1.0
  Cu  Cu1  4  0.33  0.33  -0.0  1.0
  Ir  Ir2  4  0.38  0.16  0.88  1.0
  Ir  Ir3  2  0.0  0.0  0.0  1.0
  Ir  Ir4  2  0.03  0.5  0.88  1.0
  Ir  Ir5  2  0.3  0.0  -0.0  1.0

Cu Cu Cu Cu Ir Ir Ir Ir Ir