data_LiAgPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   4.26
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   104.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAgPd2
_chemical_formula_sum   'Li1 Ag1 Pd2'
_cell_volume   61.93
_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  0.43  0.0  0.98  1.0
  Ag  Ag0  1  0.56  0.13  0.68  1.0
  Pd  Pd2  1  0.19  0.13  0.2  1.0
  Pd  Pd3  1  0.02  0.0  0.26  1.0

data_LiAgPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.26
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   104.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAgPd2
_chemical_formula_sum   'Li1 Ag1 Pd2'
_cell_volume   61.93
_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  0.43  0.0  0.98  1.0
  Ag  Ag1  1  0.56  0.13  0.68  1.0
  Pd  Pd2  1  0.02  0.0  0.26  1.0
  Pd  Pd3  1  0.19  0.13  0.2  1.0

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