data_SrTlGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   133.07
_cell_angle_beta   133.07
_cell_angle_gamma   68.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTlGe2
_chemical_formula_sum   'Sr1 Tl1 Ge2'
_cell_volume   102.39
_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  0.8  1.0
  Tl  Tl3  1  0.0  0.31  0.4  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.31  0.0  0.4  1.0

data_SrTlGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   5.8
_cell_angle_alpha   113.46
_cell_angle_beta   113.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTlGe2
_chemical_formula_sum   'Sr1 Tl1 Ge2'
_cell_volume   102.39
_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  0.8  0.8  0.8  1.0
  Tl  Tl1  1  0.09  0.4  0.09  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.4  0.09  0.09  1.0

Sr Tl Ge Ge
Sr Tl Ge Ge 0 2 o o + 1 2 o o o 1 3 o o o 2 3 o o o 