data_SrTl2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64
_cell_length_b   6.64
_cell_length_c   6.64
_cell_angle_alpha   141.36
_cell_angle_beta   132.32
_cell_angle_gamma   62.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTl2Bi
_chemical_formula_sum   'Sr1 Tl2 Bi1'
_cell_volume   133.4
_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  0.0  0.68  0.62  1.0
  Tl  Tl3  1  0.2  0.0  0.04  1.0
  Bi  Bi0  1  0.0  0.0  0.66  1.0

data_SrTl2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   5.37
_cell_length_c   6.64
_cell_angle_alpha   113.84
_cell_angle_beta   109.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTl2Bi
_chemical_formula_sum   'Sr1 Tl2 Bi1'
_cell_volume   133.4
_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  0.96  0.16  1.0
  Tl  Tl2  1  0.38  0.06  0.06  1.0
  Bi  Bi3  1  0.34  0.34  0.34  1.0

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