data_Y2Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   6.55
_cell_angle_alpha   39.48
_cell_angle_beta   39.48
_cell_angle_gamma   39.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Ir3
_chemical_formula_sum   'Y2 Ir3'
_cell_volume   102.38
_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
  Y  Y3  1  0.0  0.0  0.32  1.0
  Y  Y4  1  0.0  0.0  0.78  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.86  1.0
  Ir  Ir2  1  0.0  0.0  0.24  1.0

data_Y2Ir3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.67
_cell_length_b   4.43
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   112.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2Ir3
_chemical_formula_sum   'Y4 Ir6'
_cell_volume   204.75
_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
  Y  Y0  2  0.0  0.0  0.22  1.0
  Y  Y1  2  0.0  0.0  0.68  1.0
  Ir  Ir2  2  0.0  0.0  0.0  1.0
  Ir  Ir3  2  0.0  0.0  0.76  1.0
  Ir  Ir4  2  0.0  0.0  0.14  1.0

Y Y Ir Ir Ir
Y Y Ir Ir Ir 0 4 o o o 1 3 o o o 2 3 o o - 