data_LaAg2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAg2Pd
_chemical_formula_sum   'La1 Ag2 Pd1'
_cell_volume   87.65
_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  La2  1  0.85  0.0  0.0  1.0
  Ag  Ag0  1  0.43  0.88  0.04  1.0
  Ag  Ag1  1  0.43  0.12  0.04  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_LaAg2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   105.74
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAg2Pd
_chemical_formula_sum   'La1 Ag2 Pd1'
_cell_volume   87.65
_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  0.0  0.85  0.0  1.0
  Ag  Ag1  1  0.04  0.43  0.12  1.0
  Ag  Ag2  1  0.04  0.43  0.88  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

La Ag Ag Pd