data_AlRu2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   144.67
_cell_angle_beta   121.62
_cell_angle_gamma   70.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRu2Pb
_chemical_formula_sum   'Al1 Ru2 Pb1'
_cell_volume   67.32
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.57  0.0  0.93  1.0
  Ru  Ru3  1  0.0  0.53  0.31  1.0
  Pb  Pb1  1  0.0  0.0  0.24  1.0

data_AlRu2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.05
_cell_length_c   5.18
_cell_angle_alpha   119.19
_cell_angle_beta   107.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRu2Pb
_chemical_formula_sum   'Al1 Ru2 Pb1'
_cell_volume   67.32
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.93  0.36  1.0
  Ru  Ru2  1  0.47  0.78  0.78  1.0
  Pb  Pb3  1  0.0  0.24  0.24  1.0

Al Ru Ru Pb
Al Ru Ru Pb 0 3 o o o 0 1 - o - 0 2 o o o 1 3 + o + 