data_LiMoPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02
_cell_length_b   6.86
_cell_length_c   2.68
_cell_angle_alpha   82.27
_cell_angle_beta   75.46
_cell_angle_gamma   22.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMoPd
_chemical_formula_sum   'Li1 Mo1 Pd1'
_cell_volume   45.68
_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  0.57  0.17  0.26  1.0
  Mo  Mo1  1  0.57  0.17  0.96  1.0
  Pd  Pd2  1  0.57  0.17  0.48  1.0

data_LiMoPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.15
_cell_length_b   13.35
_cell_length_c   2.68
_cell_angle_alpha   90.0
_cell_angle_beta   125.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiMoPd
_chemical_formula_sum   'Li2 Mo2 Pd2'
_cell_volume   91.35
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.26  0.0  0.84  1.0
  Mo  Mo1  2  0.46  0.5  0.53  1.0
  Pd  Pd2  2  0.48  0.0  0.05  1.0

Li Mo Pd
Li Mo Pd 0 2 o o o 0 1 o o - 