data_LaY2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   3.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2Pd
_chemical_formula_sum   'La1 Y2 Pd1'
_cell_volume   106.47
_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  0.65  0.0  0.0  1.0
  Y  Y2  1  0.82  0.95  0.87  1.0
  Y  Y3  1  0.82  0.05  0.87  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_LaY2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   93.86
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2Pd
_chemical_formula_sum   'La1 Y2 Pd1'
_cell_volume   106.47
_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  0.65  0.0  1.0
  Y  Y1  1  0.87  0.82  0.05  1.0
  Y  Y2  1  0.87  0.82  0.95  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

La Y Y Pd
La Y Y Pd 0 1 o - - 0 2 o o - 1 2 o + o 1 3 + + + 2 3 + o + 