data_Tl2GeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   6.44
_cell_angle_alpha   143.62
_cell_angle_beta   128.96
_cell_angle_gamma   64.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GeTe
_chemical_formula_sum   'Tl2 Ge1 Te1'
_cell_volume   121.59
_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  0.79  1.0
  Tl  Tl3  1  0.01  0.0  0.85  1.0
  Ge  Ge0  1  0.0  0.0  0.84  1.0
  Te  Te1  1  0.0  0.77  0.33  1.0

data_Tl2GeTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   5.55
_cell_length_c   6.44
_cell_angle_alpha   115.52
_cell_angle_beta   108.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GeTe
_chemical_formula_sum   'Tl2 Ge1 Te1'
_cell_volume   121.59
_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  0.16  0.15  0.16  1.0
  Tl  Tl1  1  0.21  0.21  0.21  1.0
  Ge  Ge2  1  0.16  0.16  0.16  1.0
  Te  Te3  1  0.67  0.44  0.44  1.0

Tl Tl Ge Te