data_SrTl2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTl2Ge
_chemical_formula_sum   'Sr1 Tl2 Ge1'
_cell_volume   117.49
_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  0.01  0.01  0.31  1.0
  Tl  Tl2  1  0.0  0.0  0.26  1.0
  Tl  Tl3  1  0.01  0.01  0.95  1.0
  Ge  Ge0  1  0.0  0.0  0.35  1.0

data_SrTl2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrTl2Ge
_chemical_formula_sum   'Sr2 Tl4 Ge2'
_cell_volume   234.98
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.01  0.0  0.31  1.0
  Tl  Tl1  2  0.0  0.0  0.26  1.0
  Tl  Tl2  2  0.01  0.0  0.95  1.0
  Ge  Ge3  2  0.0  0.0  0.35  1.0

Sr Tl Tl Ge