data_TlZn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   8.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZn2Ge
_chemical_formula_sum   'Tl1 Zn2 Ge1'
_cell_volume   83.09
_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  Tl1  1  0.57  0.57  0.47  1.0
  Zn  Zn2  1  0.0  0.0  0.45  1.0
  Zn  Zn3  1  0.57  0.57  0.99  1.0
  Ge  Ge0  1  0.0  0.0  0.69  1.0

data_TlZn2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   8.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlZn2Ge
_chemical_formula_sum   'Tl2 Zn4 Ge2'
_cell_volume   166.19
_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
  Tl  Tl0  2  0.07  0.5  0.47  1.0
  Zn  Zn1  2  0.0  0.0  0.45  1.0
  Zn  Zn2  2  0.07  0.5  0.99  1.0
  Ge  Ge3  2  0.0  0.0  0.69  1.0

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