data_SrTl2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17
_cell_length_b   7.17
_cell_length_c   3.83
_cell_angle_alpha   105.42
_cell_angle_beta   105.42
_cell_angle_gamma   123.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTl2Bi
_chemical_formula_sum   'Sr1 Tl2 Bi1'
_cell_volume   135.58
_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
  Sr  Sr1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.69  0.84  0.0  1.0
  Tl  Tl3  1  0.69  0.16  0.0  1.0
  Bi  Bi0  1  0.39  0.0  0.0  1.0

data_SrTl2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   5.6
_cell_length_c   7.17
_cell_angle_alpha   112.94
_cell_angle_beta   105.42
_cell_angle_gamma   90.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTl2Bi
_chemical_formula_sum   'Sr1 Tl2 Bi1'
_cell_volume   135.58
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.16  0.16  0.85  1.0
  Tl  Tl2  1  0.84  0.84  0.53  1.0
  Bi  Bi3  1  0.0  0.0  0.39  1.0

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