data_LaSi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   3.92
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   93.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSi2Pd
_chemical_formula_sum   'La1 Si2 Pd1'
_cell_volume   82.69
_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  0.29  0.96  0.91  1.0
  Si  Si2  1  0.36  0.96  0.5  1.0
  Si  Si3  1  0.32  0.0  0.23  1.0
  Pd  Pd1  1  0.59  0.0  0.25  1.0

data_LaSi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.02
_cell_length_c   5.27
_cell_angle_alpha   93.36
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSi2Pd
_chemical_formula_sum   'La1 Si2 Pd1'
_cell_volume   82.69
_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  0.04  0.71  0.09  1.0
  Si  Si1  1  0.0  0.68  0.77  1.0
  Si  Si2  1  0.04  0.64  0.5  1.0
  Pd  Pd3  1  0.0  0.41  0.75  1.0

La Si Si Pd