data_YZr2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   4.96
_cell_angle_alpha   114.72
_cell_angle_beta   114.72
_cell_angle_gamma   34.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZr2Ir
_chemical_formula_sum   'Y1 Zr2 Ir1'
_cell_volume   88.47
_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  Y1  1  0.18  0.0  0.24  1.0
  Zr  Zr2  1  0.07  0.0  0.43  1.0
  Zr  Zr3  1  0.82  0.0  0.15  1.0
  Ir  Ir0  1  0.6  0.0  0.31  1.0

data_YZr2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.96
_cell_length_c   5.89
_cell_angle_alpha   114.72
_cell_angle_beta   107.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZr2Ir
_chemical_formula_sum   'Y1 Zr2 Ir1'
_cell_volume   88.47
_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  0.24  0.18  1.0
  Zr  Zr1  1  0.0  0.15  0.82  1.0
  Zr  Zr2  1  0.0  0.43  0.07  1.0
  Ir  Ir3  1  0.0  0.31  0.6  1.0

Y Zr Zr Ir