data_AgBPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBPb2
_chemical_formula_sum   'Ag1 B1 Pb2'
_cell_volume   92.46
_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
  Ag  Ag0  1  0.02  0.0  0.57  1.0
  B  B1  1  0.0  0.0  0.55  1.0
  Pb  Pb2  1  0.02  0.0  0.71  1.0
  Pb  Pb3  1  0.0  0.0  0.74  1.0

data_AgBPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.47
_cell_length_b   4.03
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgBPb2
_chemical_formula_sum   'Ag2 B2 Pb4'
_cell_volume   184.91
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x+28/855, -y, z'
  3  'x, -y, z'
  4  '-x+28/855, y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+423/794, -y+1/2, z'
  7  'x+1/2, -y+1/2, z'
  8  '-x+423/794, 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
  Ag  Ag0  2  0.02  0.0  0.57  1.0
  B  B1  2  0.01  0.0  0.55  1.0
  Pb  Pb2  2  0.01  0.0  0.74  1.0
  Pb  Pb3  2  0.02  0.0  0.71  1.0

Ag B Pb Pb
Ag B Pb Pb 0 1 o o o 2 3 o o o 