data_Sb2RuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12
_cell_length_b   4.87
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   103.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2RuPb
_chemical_formula_sum   'Sb2 Ru1 Pb1'
_cell_volume   105.9
_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
  Sb  Sb2  1  0.11  0.44  0.1  1.0
  Sb  Sb3  1  0.99  0.0  0.82  1.0
  Ru  Ru1  1  0.83  0.0  0.4  1.0
  Pb  Pb0  1  0.14  0.44  0.86  1.0

data_Sb2RuPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   4.87
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   103.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2RuPb
_chemical_formula_sum   'Sb2 Ru1 Pb1'
_cell_volume   105.9
_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
  Sb  Sb0  1  0.11  0.44  0.1  1.0
  Sb  Sb1  1  0.99  0.0  0.82  1.0
  Ru  Ru2  1  0.83  0.0  0.4  1.0
  Pb  Pb3  1  0.14  0.44  0.86  1.0

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