data_LiCu2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   145.17
_cell_angle_beta   131.31
_cell_angle_gamma   61.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCu2Pd
_chemical_formula_sum   'Li1 Cu2 Pd1'
_cell_volume   50.92
_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  Li2  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.48  0.0  0.07  1.0
  Cu  Cu1  1  0.0  0.03  0.17  1.0
  Pd  Pd3  1  0.0  0.0  0.24  1.0

data_LiCu2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.07
_cell_length_c   4.93
_cell_angle_alpha   114.34
_cell_angle_beta   107.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCu2Pd
_chemical_formula_sum   'Li1 Cu2 Pd1'
_cell_volume   50.92
_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  0.0  0.0  1.0
  Cu  Cu1  1  0.4  0.93  0.4  1.0
  Cu  Cu2  1  0.83  0.86  0.86  1.0
  Pd  Pd3  1  0.76  0.76  0.76  1.0

Li Cu Cu Pd