data_SrTaPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTaPb2
_chemical_formula_sum   'Sr1 Ta1 Pb2'
_cell_volume   121.97
_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
  Sr  Sr2  1  0.0  0.0  0.16  1.0
  Ta  Ta3  1  0.94  0.94  0.76  1.0
  Pb  Pb0  1  0.0  0.0  0.54  1.0
  Pb  Pb1  1  0.94  0.94  0.69  1.0

data_SrTaPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrTaPb2
_chemical_formula_sum   'Sr2 Ta2 Pb4'
_cell_volume   243.94
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -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
  Sr  Sr0  2  0.0  0.0  0.16  1.0
  Ta  Ta1  2  0.44  0.5  0.76  1.0
  Pb  Pb2  2  0.0  0.0  0.54  1.0
  Pb  Pb3  2  0.44  0.5  0.69  1.0

Sr Ta Pb Pb
Sr Ta Pb Pb 0 3 - - - 0 1 - - - 0 0 + o o 0 0 o + o 0 2 o o o 1 3 o o o 2 3 - - o 