data_LiY2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   4.59
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   102.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2Ir
_chemical_formula_sum   'Li1 Y2 Ir1'
_cell_volume   88.89
_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  0.66  0.0  0.07  1.0
  Y  Y2  1  0.64  0.3  0.6  1.0
  Y  Y3  1  0.56  0.0  0.85  1.0
  Ir  Ir0  1  0.72  0.3  0.38  1.0

data_LiY2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   4.59
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   102.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2Ir
_chemical_formula_sum   'Li1 Y2 Ir1'
_cell_volume   88.89
_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  0.66  0.0  0.07  1.0
  Y  Y1  1  0.56  0.0  0.85  1.0
  Y  Y2  1  0.64  0.3  0.6  1.0
  Ir  Ir3  1  0.72  0.3  0.38  1.0

Li Y Y Ir