data_LiNi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   144.69
_cell_angle_beta   128.3
_cell_angle_gamma   64.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi2Pd
_chemical_formula_sum   'Li1 Ni2 Pd1'
_cell_volume   49.53
_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  0.15  1.0
  Ni  Ni1  1  0.46  0.0  0.05  1.0
  Ni  Ni2  1  0.0  0.0  0.94  1.0
  Pd  Pd3  1  0.46  0.0  0.06  1.0

data_LiNi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.18
_cell_length_c   4.8
_cell_angle_alpha   115.85
_cell_angle_beta   107.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi2Pd
_chemical_formula_sum   'Li1 Ni2 Pd1'
_cell_volume   49.53
_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  0.15  0.15  1.0
  Ni  Ni1  1  0.0  0.05  0.59  1.0
  Ni  Ni2  1  0.0  0.94  0.94  1.0
  Pd  Pd3  1  0.0  0.06  0.6  1.0

Li Ni Ni Pd