data_ZnRuPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   5.46
_cell_angle_alpha   100.74
_cell_angle_beta   100.74
_cell_angle_gamma   40.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRuPb2
_chemical_formula_sum   'Zn1 Ru1 Pb2'
_cell_volume   85.58
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.12  0.0  0.68  1.0
  Pb  Pb0  1  0.41  0.0  0.94  1.0
  Pb  Pb1  1  0.83  0.0  0.41  1.0

data_ZnRuPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.97
_cell_length_c   5.46
_cell_angle_alpha   100.74
_cell_angle_beta   90.0
_cell_angle_gamma   110.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRuPb2
_chemical_formula_sum   'Zn1 Ru1 Pb2'
_cell_volume   85.58
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.88  0.32  1.0
  Pb  Pb2  1  0.0  0.17  0.59  1.0
  Pb  Pb3  1  0.0  0.59  0.06  1.0

Zn Ru Pb Pb
Zn Ru Pb Pb 0 2 o o - 0 1 o o - 1 3 - o o 1 2 o o o 