data_TaTl2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   134.42
_cell_angle_beta   134.42
_cell_angle_gamma   66.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTl2Ge
_chemical_formula_sum   'Ta1 Tl2 Ge1'
_cell_volume   86.54
_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
  Ta  Ta1  1  0.16  0.0  0.33  1.0
  Tl  Tl2  1  0.0  0.0  0.66  1.0
  Tl  Tl3  1  0.0  0.16  0.33  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_TaTl2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   5.56
_cell_angle_alpha   112.79
_cell_angle_beta   112.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTl2Ge
_chemical_formula_sum   'Ta1 Tl2 Ge1'
_cell_volume   86.54
_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
  Ta  Ta0  1  0.33  0.17  0.17  1.0
  Tl  Tl1  1  0.17  0.33  0.17  1.0
  Tl  Tl2  1  0.66  0.66  0.66  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

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