data_Li2YIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   138.33
_cell_angle_beta   133.77
_cell_angle_gamma   63.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2YIr
_chemical_formula_sum   'Li2 Y1 Ir1'
_cell_volume   71.42
_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
  Li  Li1  1  0.0  0.09  0.14  1.0
  Li  Li2  1  0.89  0.0  0.37  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.51  1.0

data_Li2YIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.18
_cell_length_c   5.32
_cell_angle_alpha   113.12
_cell_angle_beta   110.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2YIr
_chemical_formula_sum   'Li2 Y1 Ir1'
_cell_volume   71.42
_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
  Li  Li0  1  0.0  0.37  0.48  1.0
  Li  Li1  1  0.91  0.06  0.06  1.0
  Y  Y2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.51  0.51  1.0

Li Li Y Ir