data_TlGeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   143.51
_cell_angle_beta   143.51
_cell_angle_gamma   52.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGeCl2
_chemical_formula_sum   'Tl1 Ge1 Cl2'
_cell_volume   106.71
_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  Tl3  1  0.0  0.1  0.01  1.0
  Ge  Ge2  1  0.0  0.0  0.03  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.1  0.0  0.01  1.0

data_TlGeCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   116.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlGeCl2
_chemical_formula_sum   'Tl2 Ge2 Cl4'
_cell_volume   213.42
_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  0.1  0.0  0.09  1.0
  Ge  Ge1  2  0.49  0.5  0.97  1.0
  Cl  Cl2  2  0.0  0.0  0.09  1.0
  Cl  Cl3  2  0.01  0.0  0.0  1.0

Tl Ge Cl Cl