data_Lu2Pd2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76
_cell_length_b   7.76
_cell_length_c   3.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu2Pd2Pb
_chemical_formula_sum   'Lu4 Pd4 Pb2'
_cell_volume   214.87
_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
  Lu  Lu0  1  0.57  0.31  0.78  1.0
  Lu  Lu1  1  0.45  0.57  0.78  1.0
  Lu  Lu2  1  0.31  0.19  0.78  1.0
  Lu  Lu3  1  0.19  0.45  0.78  1.0
  Pd  Pd6  1  0.87  0.99  0.0  1.0
  Pd  Pd7  1  0.99  0.89  0.0  1.0
  Pd  Pd8  1  0.77  0.87  0.0  1.0
  Pd  Pd9  1  0.89  0.77  0.0  1.0
  Pb  Pb4  1  0.0  0.0  0.0  1.0
  Pb  Pb5  1  0.88  0.88  0.0  1.0

data_Lu2Pd2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   7.76
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu2Pd2Pb
_chemical_formula_sum   'Lu4 Pd4 Pb2'
_cell_volume   214.87
_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
  Lu  Lu0  1  0.78  0.19  0.45  1.0
  Lu  Lu1  1  0.78  0.31  0.19  1.0
  Lu  Lu2  1  0.78  0.45  0.57  1.0
  Lu  Lu3  1  0.78  0.57  0.31  1.0
  Pd  Pd4  1  -0.0  0.99  0.89  1.0
  Pd  Pd5  1  -0.0  0.87  0.99  1.0
  Pd  Pd6  1  -0.0  0.89  0.77  1.0
  Pd  Pd7  1  -0.0  0.77  0.87  1.0
  Pb  Pb8  1  -0.0  0.88  0.88  1.0
  Pb  Pb9  1  0.0  0.0  0.0  1.0

Lu Lu Lu Lu Pd Pd Pd Pd Pb Pb
Lu Lu Lu Lu Pd Pd Pd Pd Pb Pb 0 2 o o o 0 1 o o o 1 3 o o o 2 3 o o o 4 9 o o o 4 8 + + o 5 9 o o o 5 8 + + o 6 9 o o o 7 9 o o o 