data_SbRuPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   132.07
_cell_angle_beta   132.07
_cell_angle_gamma   70.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbRuPb2
_chemical_formula_sum   'Sb1 Ru1 Pb2'
_cell_volume   96.66
_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  Sb3  1  0.0  0.0  0.61  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.0  0.29  0.31  1.0
  Pb  Pb1  1  0.29  0.0  0.31  1.0

data_SbRuPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   125.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SbRuPb2
_chemical_formula_sum   'Sb2 Ru2 Pb4'
_cell_volume   193.33
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.39  0.0  0.39  1.0
  Ru  Ru1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  4  0.34  0.36  0.98  1.0

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