data_LiIrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   147.36
_cell_angle_beta   128.82
_cell_angle_gamma   62.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiIrPd
_chemical_formula_sum   'Li1 Ir1 Pd1'
_cell_volume   42.59
_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  0.0  0.34  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.0  0.67  1.0

data_LiIrPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   4.04
_cell_length_c   4.68
_cell_angle_alpha   115.59
_cell_angle_beta   106.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiIrPd
_chemical_formula_sum   'Li1 Ir1 Pd1'
_cell_volume   42.59
_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  0.34  0.34  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.67  0.67  1.0

Li Ir Pd