data_NaTlGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26
_cell_length_b   7.18
_cell_length_c   3.36
_cell_angle_alpha   77.78
_cell_angle_beta   75.34
_cell_angle_gamma   26.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlGe
_chemical_formula_sum   'Na1 Tl1 Ge1'
_cell_volume   76.46
_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
  Na  Na1  1  0.26  0.48  0.92  1.0
  Tl  Tl2  1  0.26  0.48  0.73  1.0
  Ge  Ge0  1  0.26  0.48  0.62  1.0

data_NaTlGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.52
_cell_length_b   13.63
_cell_length_c   3.36
_cell_angle_alpha   90.0
_cell_angle_beta   132.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaTlGe
_chemical_formula_sum   'Na2 Tl2 Ge2'
_cell_volume   152.92
_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
  Na  Na0  2  0.42  0.5  0.18  1.0
  Tl  Tl1  2  0.23  0.5  0.99  1.0
  Ge  Ge2  2  0.12  0.5  0.87  1.0

Na Tl Ge
Na Tl Ge 0 1 o o o 1 2 o o o 