data_LaFe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   142.16
_cell_angle_beta   128.61
_cell_angle_gamma   65.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFe2Pd
_chemical_formula_sum   'La1 Fe2 Pd1'
_cell_volume   71.6
_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  0.73  0.0  0.39  1.0
  Fe  Fe0  1  0.73  0.0  0.26  1.0
  Fe  Fe1  1  0.0  0.0  0.93  1.0
  Pd  Pd3  1  0.0  0.0  0.87  1.0

data_LaFe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.62
_cell_length_c   5.33
_cell_angle_alpha   115.69
_cell_angle_beta   108.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFe2Pd
_chemical_formula_sum   'La1 Fe2 Pd1'
_cell_volume   71.6
_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  0.39  0.67  1.0
  Fe  Fe1  1  0.0  0.26  0.53  1.0
  Fe  Fe2  1  0.0  0.93  0.93  1.0
  Pd  Pd3  1  0.0  0.87  0.87  1.0

La Fe Fe Pd
La Fe Fe Pd 0 1 o o o 2 3 o o o 