data_TaTlGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.71
_cell_length_b   10.71
_cell_length_c   10.71
_cell_angle_alpha   16.29
_cell_angle_beta   16.29
_cell_angle_gamma   16.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTlGe2
_chemical_formula_sum   'Ta1 Tl1 Ge2'
_cell_volume   84.27
_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  Ta2  1  0.0  0.0  0.14  1.0
  Tl  Tl3  1  0.0  0.0  1.0  1.0
  Ge  Ge0  1  0.0  0.0  0.35  1.0
  Ge  Ge1  1  0.0  0.0  0.76  1.0

data_TaTlGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.26
_cell_length_b   3.03
_cell_length_c   10.71
_cell_angle_alpha   90.0
_cell_angle_beta   99.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaTlGe2
_chemical_formula_sum   'Ta2 Tl2 Ge4'
_cell_volume   168.54
_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
  Ta  Ta0  2  -0.0  0.0  0.86  1.0
  Tl  Tl1  2  -0.0  0.0  0.0  1.0
  Ge  Ge2  2  -0.0  0.0  0.65  1.0
  Ge  Ge3  2  -0.0  0.0  0.24  1.0

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