data_La2SiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   42.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2SiPd
_chemical_formula_sum   'La2 Si1 Pd1'
_cell_volume   104.18
_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  0.19  0.0  0.87  1.0
  La  La1  1  0.0  0.0  0.77  1.0
  Si  Si3  1  0.0  0.0  0.55  1.0
  Pd  Pd2  1  0.19  0.0  1.0  1.0

data_La2SiPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.38
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   111.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2SiPd
_chemical_formula_sum   'La2 Si1 Pd1'
_cell_volume   104.18
_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  0.13  0.19  0.13  1.0
  La  La1  1  0.23  0.0  0.23  1.0
  Si  Si2  1  0.45  0.0  0.45  1.0
  Pd  Pd3  1  0.0  0.19  0.0  1.0

La La Si Pd