data_Sr2TlSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   6.59
_cell_angle_alpha   135.62
_cell_angle_beta   135.62
_cell_angle_gamma   64.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TlSn
_chemical_formula_sum   'Sr2 Tl1 Sn1'
_cell_volume   138.24
_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  0.49  0.79  1.0
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.49  0.0  0.79  1.0
  Sn  Sn0  1  0.0  0.0  0.57  1.0

data_Sr2TlSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   6.59
_cell_angle_alpha   112.19
_cell_angle_beta   112.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TlSn
_chemical_formula_sum   'Sr2 Tl1 Sn1'
_cell_volume   138.24
_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
  Sr  Sr1  1  0.3  0.79  0.3  1.0
  Tl  Tl2  1  0.79  0.3  0.3  1.0
  Sn  Sn3  1  0.57  0.57  0.57  1.0

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