data_SrTlPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   5.99
_cell_angle_alpha   103.73
_cell_angle_beta   103.73
_cell_angle_gamma   37.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTlPb2
_chemical_formula_sum   'Sr1 Tl1 Pb2'
_cell_volume   133.01
_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  0.06  0.0  0.86  1.0
  Tl  Tl3  1  0.31  0.0  0.34  1.0
  Pb  Pb0  1  0.52  0.0  0.77  1.0
  Pb  Pb1  1  0.85  0.0  0.53  1.0

data_SrTlPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   5.99
_cell_length_c   6.15
_cell_angle_alpha   103.73
_cell_angle_beta   108.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTlPb2
_chemical_formula_sum   'Sr1 Tl1 Pb2'
_cell_volume   133.01
_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  Sr0  1  0.0  0.86  0.06  1.0
  Tl  Tl1  1  0.0  0.34  0.31  1.0
  Pb  Pb2  1  0.0  0.53  0.85  1.0
  Pb  Pb3  1  0.0  0.77  0.52  1.0

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