data_SrTlPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   4.93
_cell_angle_alpha   109.95
_cell_angle_beta   109.95
_cell_angle_gamma   43.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTlPb2
_chemical_formula_sum   'Sr1 Tl1 Pb2'
_cell_volume   124.3
_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  0.0  1.0
  Tl  Tl3  1  0.9  0.0  0.29  1.0
  Pb  Pb0  1  0.52  0.0  0.3  1.0
  Pb  Pb1  1  0.29  0.0  0.28  1.0

data_SrTlPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.67
_cell_length_b   4.93
_cell_length_c   6.26
_cell_angle_alpha   109.95
_cell_angle_beta   111.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTlPb2
_chemical_formula_sum   'Sr1 Tl1 Pb2'
_cell_volume   124.3
_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  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.29  0.9  1.0
  Pb  Pb2  1  0.0  0.28  0.29  1.0
  Pb  Pb3  1  0.0  0.3  0.52  1.0

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