data_SnRuPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   4.61
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   111.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnRuPb2
_chemical_formula_sum   'Sn1 Ru1 Pb2'
_cell_volume   98.76
_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
  Sn  Sn3  1  0.71  0.3  0.94  1.0
  Ru  Ru2  1  0.85  0.0  0.64  1.0
  Pb  Pb0  1  0.79  0.0  0.89  1.0
  Pb  Pb1  1  0.75  0.3  0.67  1.0

data_SnRuPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.61
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   111.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnRuPb2
_chemical_formula_sum   'Sn1 Ru1 Pb2'
_cell_volume   98.76
_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
  Sn  Sn0  1  0.71  0.3  0.94  1.0
  Ru  Ru1  1  0.85  0.0  0.64  1.0
  Pb  Pb2  1  0.75  0.3  0.67  1.0
  Pb  Pb3  1  0.79  0.0  0.89  1.0

Sn Ru Pb Pb
Sn Ru Pb Pb 0 2 o o o 0 3 o o o 1 3 o o o 1 2 o o o 