data_YSn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   7.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSn2Ir
_chemical_formula_sum   'Y1 Sn2 Ir1'
_cell_volume   86.42
_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  0.0  1.0
  Sn  Sn1  1  0.7  0.7  0.32  1.0
  Sn  Sn2  1  0.7  0.7  0.19  1.0
  Ir  Ir0  1  0.0  0.0  0.75  1.0

data_YSn2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   7.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YSn2Ir
_chemical_formula_sum   'Y2 Sn4 Ir2'
_cell_volume   172.84
_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  0.0  1.0
  Sn  Sn1  2  0.2  0.5  0.19  1.0
  Sn  Sn2  2  0.2  0.5  0.32  1.0
  Ir  Ir3  2  0.0  0.0  0.75  1.0

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