data_ReAgPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   5.94
_cell_angle_alpha   99.63
_cell_angle_beta   99.63
_cell_angle_gamma   37.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAgPb2
_chemical_formula_sum   'Re1 Ag1 Pb2'
_cell_volume   87.58
_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
  Re  Re3  1  0.21  0.0  0.92  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.51  0.0  0.3  1.0
  Pb  Pb2  1  0.91  0.0  0.55  1.0

data_ReAgPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.99
_cell_length_c   5.94
_cell_angle_alpha   99.63
_cell_angle_beta   90.0
_cell_angle_gamma   108.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAgPb2
_chemical_formula_sum   'Re1 Ag1 Pb2'
_cell_volume   87.58
_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
  Re  Re0  1  0.0  0.79  0.08  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.09  0.45  1.0
  Pb  Pb3  1  0.0  0.49  0.7  1.0

Re Ag Pb Pb
Re Ag Pb Pb 0 1 o o + 0 2 o o + 0 3 - o o 1 2 o o o 1 3 - o - 2 3 o o o 