data_ZrRu2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   5.28
_cell_angle_alpha   103.21
_cell_angle_beta   103.21
_cell_angle_gamma   39.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRu2Pb
_chemical_formula_sum   'Zr1 Ru2 Pb1'
_cell_volume   73.85
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.35  0.0  0.21  1.0
  Ru  Ru2  1  0.31  0.0  0.91  1.0
  Pb  Pb0  1  0.83  0.0  0.56  1.0

data_ZrRu2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.75
_cell_length_c   5.28
_cell_angle_alpha   103.21
_cell_angle_beta   90.0
_cell_angle_gamma   109.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRu2Pb
_chemical_formula_sum   'Zr1 Ru2 Pb1'
_cell_volume   73.85
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.65  0.79  1.0
  Ru  Ru2  1  0.0  0.69  0.09  1.0
  Pb  Pb3  1  0.0  0.17  0.44  1.0

Zr Ru Ru Pb