data_LaGePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   7.67
_cell_angle_alpha   129.07
_cell_angle_beta   129.07
_cell_angle_gamma   46.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGePd
_chemical_formula_sum   'La2 Ge2 Pd2'
_cell_volume   134.4
_cell_formula_units_Z   2
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  0.08  0.0  0.64  1.0
  La  La1  1  0.2  0.0  0.94  1.0
  Ge  Ge2  1  0.16  0.0  0.96  1.0
  Ge  Ge3  1  0.11  0.0  0.62  1.0
  Pd  Pd4  1  0.15  0.0  0.03  1.0
  Pd  Pd5  1  0.12  0.0  0.55  1.0

data_LaGePd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.57
_cell_length_b   5.75
_cell_length_c   6.03
_cell_angle_alpha   81.32
_cell_angle_beta   67.73
_cell_angle_gamma   66.58
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaGePd
_chemical_formula_sum   'La2 Ge2 Pd2'
_cell_volume   134.4
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.09  0.35  1.0
  Ge  Ge1  2  0.0  0.15  0.33  1.0
  Pd  Pd2  2  0.0  0.22  0.26  1.0

La La Ge Ge Pd Pd