data_LaCuPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   3.53
_cell_angle_alpha   107.1
_cell_angle_beta   107.1
_cell_angle_gamma   115.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCuPd2
_chemical_formula_sum   'La1 Cu1 Pd2'
_cell_volume   78.41
_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  La1  1  0.9  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.48  0.72  0.48  1.0
  Pd  Pd3  1  0.48  0.28  0.48  1.0

data_LaCuPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.87
_cell_length_c   5.41
_cell_angle_alpha   115.25
_cell_angle_beta   107.1
_cell_angle_gamma   94.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCuPd2
_chemical_formula_sum   'La1 Cu1 Pd2'
_cell_volume   78.41
_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  0.0  0.9  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.19  0.72  0.2  1.0
  Pd  Pd3  1  0.76  0.28  0.77  1.0

La Cu Pd Pd