data_Sb2MoPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   7.02
_cell_angle_alpha   152.52
_cell_angle_beta   139.92
_cell_angle_gamma   49.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2MoPb
_chemical_formula_sum   'Sb2 Mo1 Pb1'
_cell_volume   102.3
_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  0.67  0.0  0.29  1.0
  Sb  Sb3  1  0.0  0.4  0.09  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.38  1.0

data_Sb2MoPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.81
_cell_length_c   7.02
_cell_angle_alpha   110.04
_cell_angle_beta   103.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2MoPb
_chemical_formula_sum   'Sb2 Mo1 Pb1'
_cell_volume   102.3
_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  0.38  0.71  0.38  1.0
  Sb  Sb1  1  0.91  0.32  0.32  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.62  0.62  0.62  1.0

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