data_YSn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   148.39
_cell_angle_beta   126.73
_cell_angle_gamma   63.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSn2Ir
_chemical_formula_sum   'Y1 Sn2 Ir1'
_cell_volume   90.53
_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  0.64  0.0  0.92  1.0
  Sn  Sn2  1  0.0  0.7  0.2  1.0
  Ir  Ir0  1  0.0  0.0  0.12  1.0

data_YSn2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   5.39
_cell_length_c   6.02
_cell_angle_alpha   116.63
_cell_angle_beta   105.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSn2Ir
_chemical_formula_sum   'Y1 Sn2 Ir1'
_cell_volume   90.53
_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  Y0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.72  0.08  0.72  1.0
  Sn  Sn2  1  0.8  0.5  0.5  1.0
  Ir  Ir3  1  0.88  0.88  0.88  1.0

Y Sn Sn Ir