data_Sr2TlTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93
_cell_length_b   8.93
_cell_length_c   8.93
_cell_angle_alpha   152.65
_cell_angle_beta   150.89
_cell_angle_gamma   40.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TlTe
_chemical_formula_sum   'Sr2 Tl1 Te1'
_cell_volume   159.04
_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  0.17  1.0
  Sr  Sr1  1  0.0  0.25  0.35  1.0
  Tl  Tl3  1  0.11  0.0  0.93  1.0
  Te  Te2  1  0.0  0.0  0.1  1.0

data_Sr2TlTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.49
_cell_length_c   8.93
_cell_angle_alpha   104.55
_cell_angle_beta   103.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TlTe
_chemical_formula_sum   'Sr2 Tl1 Te1'
_cell_volume   159.04
_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  0.65  0.9  0.9  1.0
  Sr  Sr1  1  0.83  0.83  0.83  1.0
  Tl  Tl2  1  0.18  0.07  0.18  1.0
  Te  Te3  1  0.9  0.9  0.9  1.0

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