data_LaAgPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.78
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   93.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAgPd2
_chemical_formula_sum   'La1 Ag1 Pd2'
_cell_volume   81.58
_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
  La  La1  1  0.81  0.0  0.05  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.47  0.89  0.68  1.0
  Pd  Pd3  1  0.68  0.89  0.42  1.0

data_LaAgPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.78
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   93.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAgPd2
_chemical_formula_sum   'La1 Ag1 Pd2'
_cell_volume   81.58
_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
  La  La0  1  0.81  0.0  0.05  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.47  0.89  0.68  1.0
  Pd  Pd3  1  0.68  0.89  0.42  1.0

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