data_LiV2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   2.62
_cell_angle_alpha   98.22
_cell_angle_beta   98.22
_cell_angle_gamma   124.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiV2Pd
_chemical_formula_sum   'Li1 V2 Pd1'
_cell_volume   54.22
_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
  V  V2  1  0.79  0.72  0.25  1.0
  V  V3  1  0.79  0.28  0.25  1.0
  Pd  Pd1  1  0.38  0.0  0.0  1.0

data_LiV2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   4.67
_cell_length_c   5.15
_cell_angle_alpha   113.03
_cell_angle_beta   98.22
_cell_angle_gamma   104.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiV2Pd
_chemical_formula_sum   'Li1 V2 Pd1'
_cell_volume   54.22
_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
  V  V1  1  0.53  0.28  0.07  1.0
  V  V2  1  0.96  0.72  0.5  1.0
  Pd  Pd3  1  0.0  0.0  0.38  1.0

Li V V Pd