data_NaTl2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.77
_cell_angle_alpha   102.19
_cell_angle_beta   102.19
_cell_angle_gamma   36.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTl2Ge
_chemical_formula_sum   'Na1 Tl2 Ge1'
_cell_volume   106.34
_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  0.81  0.0  0.47  1.0
  Tl  Tl2  1  0.67  0.0  0.03  1.0
  Tl  Tl3  1  0.59  0.0  0.1  1.0
  Ge  Ge0  1  0.75  0.0  0.84  1.0

data_NaTl2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   5.63
_cell_length_c   5.77
_cell_angle_alpha   102.19
_cell_angle_beta   90.0
_cell_angle_gamma   108.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTl2Ge
_chemical_formula_sum   'Na1 Tl2 Ge1'
_cell_volume   106.34
_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  Na0  1  0.0  0.19  0.53  1.0
  Tl  Tl1  1  0.0  0.33  0.97  1.0
  Tl  Tl2  1  0.0  0.41  0.9  1.0
  Ge  Ge3  1  0.0  0.25  0.16  1.0

Na Tl Tl Ge