data_YNb2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.01
_cell_angle_alpha   115.25
_cell_angle_beta   115.25
_cell_angle_gamma   33.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2Ir
_chemical_formula_sum   'Y1 Nb2 Ir1'
_cell_volume   76.91
_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  0.14  0.0  0.21  1.0
  Nb  Nb1  1  0.08  0.0  0.06  1.0
  Nb  Nb2  1  0.11  0.0  0.46  1.0
  Ir  Ir0  1  0.32  0.0  0.0  1.0

data_YNb2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.01
_cell_length_c   5.57
_cell_angle_alpha   115.25
_cell_angle_beta   106.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2Ir
_chemical_formula_sum   'Y1 Nb2 Ir1'
_cell_volume   76.91
_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  0.21  0.14  1.0
  Nb  Nb1  1  0.0  0.06  0.08  1.0
  Nb  Nb2  1  0.0  0.46  0.11  1.0
  Ir  Ir3  1  0.0  0.0  0.32  1.0

Y Nb Nb Ir
Y Nb Nb Ir 0 1 o o o 0 2 o o o 0 3 o o o 1 3 o o o 