data_Li2CrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.6
_cell_length_b   4.56
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   94.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrPd
_chemical_formula_sum   'Li2 Cr1 Pd1'
_cell_volume   54.63
_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  0.82  0.28  0.16  1.0
  Li  Li2  1  0.42  0.28  0.45  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.12  0.0  0.31  1.0

data_Li2CrPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   4.56
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   94.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrPd
_chemical_formula_sum   'Li2 Cr1 Pd1'
_cell_volume   54.63
_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  0.42  0.28  0.45  1.0
  Li  Li1  1  0.82  0.28  0.16  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.12  0.0  0.31  1.0

Li Li Cr Pd
Li Li Cr Pd 0 1 o o o 0 1 + o o 0 2 + o o 0 3 + o o 1 3 o o o 2 3 o o o 