data_ScTl2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   3.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTl2Ge
_chemical_formula_sum   'Sc1 Tl2 Ge1'
_cell_volume   96.04
_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
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.54  0.24  0.74  1.0
  Tl  Tl3  1  0.54  0.76  0.74  1.0
  Ge  Ge0  1  0.08  0.0  0.0  1.0

data_ScTl2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   110.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTl2Ge
_chemical_formula_sum   'Sc1 Tl2 Ge1'
_cell_volume   96.04
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.74  0.54  0.24  1.0
  Tl  Tl2  1  0.74  0.54  0.76  1.0
  Ge  Ge3  1  0.0  0.08  0.0  1.0

Sc Tl Tl Ge