data_Tl2InGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   6.61
_cell_angle_alpha   149.65
_cell_angle_beta   130.32
_cell_angle_gamma   59.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2InGe
_chemical_formula_sum   'Tl2 In1 Ge1'
_cell_volume   110.21
_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
  Tl  Tl2  1  0.0  0.0  0.39  1.0
  Tl  Tl3  1  0.73  0.0  0.19  1.0
  In  In1  1  0.0  0.78  0.52  1.0
  Ge  Ge0  1  0.0  0.0  0.87  1.0

data_Tl2InGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   5.55
_cell_length_c   6.61
_cell_angle_alpha   114.84
_cell_angle_beta   105.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2InGe
_chemical_formula_sum   'Tl2 In1 Ge1'
_cell_volume   110.21
_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
  Tl  Tl0  1  0.54  0.81  0.54  1.0
  Tl  Tl1  1  0.61  0.61  0.61  1.0
  In  In2  1  0.48  0.25  0.25  1.0
  Ge  Ge3  1  0.13  0.13  0.13  1.0

Tl Tl In Ge
Tl Tl In Ge 0 1 - o o 2 3 o + o 