data_LiAsPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   4.25
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   94.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAsPd2
_chemical_formula_sum   'Li1 As1 Pd2'
_cell_volume   61.62
_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  0.0  0.0  0.0  1.0
  As  As0  1  0.25  0.0  0.54  1.0
  Pd  Pd2  1  0.94  0.13  0.29  1.0
  Pd  Pd3  1  0.56  0.13  0.79  1.0

data_LiAsPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.25
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   94.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAsPd2
_chemical_formula_sum   'Li1 As1 Pd2'
_cell_volume   61.62
_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
  As  As1  1  0.25  0.0  0.54  1.0
  Pd  Pd2  1  0.56  0.13  0.79  1.0
  Pd  Pd3  1  0.94  0.13  0.29  1.0

Li As Pd Pd
Li As Pd Pd 0 3 - o - 0 2 - o o 1 2 - o o 1 3 o o o 