data_Sb3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.8
_cell_length_b   6.8
_cell_length_c   5.61
_cell_angle_alpha   107.69
_cell_angle_beta   107.69
_cell_angle_gamma   29.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb3Pb
_chemical_formula_sum   'Sb3 Pb1'
_cell_volume   120.03
_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  Sb1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.58  0.0  0.08  1.0
  Sb  Sb3  1  0.82  0.0  0.25  1.0
  Pb  Pb0  1  0.7  0.0  0.66  1.0

data_Sb3Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   5.61
_cell_length_c   6.8
_cell_angle_alpha   107.69
_cell_angle_beta   104.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb3Pb
_chemical_formula_sum   'Sb3 Pb1'
_cell_volume   120.03
_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  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.08  0.58  1.0
  Sb  Sb2  1  0.0  0.25  0.82  1.0
  Pb  Pb3  1  0.0  0.66  0.7  1.0

Sb Sb Sb Pb