data_AgPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgPb3
_chemical_formula_sum   'Ag2 Pb6'
_cell_volume   229.8
_cell_formula_units_Z   2
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
  Ag  Ag0  1  0.45  0.99  0.17  1.0
  Ag  Ag1  1  0.0  0.99  0.39  1.0
  Pb  Pb2  1  0.13  0.02  0.39  1.0
  Pb  Pb3  1  0.45  0.93  0.39  1.0
  Pb  Pb4  1  0.77  0.02  0.39  1.0
  Pb  Pb5  1  0.32  0.96  0.17  1.0
  Pb  Pb6  1  0.0  0.05  0.17  1.0
  Pb  Pb7  1  0.68  0.96  0.17  1.0

data_AgPb3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.56
_cell_length_b   6.91
_cell_length_c   6.91
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AgPb3
_chemical_formula_sum   'Ag2 Pb6'
_cell_volume   229.8
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ag  Ag0  2  0.11  0.77  0.5  1.0
  Pb  Pb1  2  0.11  0.23  0.44  1.0
  Pb  Pb2  2  0.11  0.55  0.53  1.0
  Pb  Pb3  2  0.11  0.91  0.53  1.0

Ag Ag Pb Pb Pb Pb Pb Pb