data_[Na8Tl2Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.2806]
_cell_length_b [5.9890]
_cell_length_c [9.6345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Na4TlGe]
_chemical_formula_sum '[Na8 Tl2 Ge2]'
_cell_volume [362.3957]
_cell_formula_units_Z [2]
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  4  0.2490  0.1208  0.7675  1.0
  Na  Na1  2  0.0000  0.6297  0.9533  1.0
  Na  Na2  2  0.0000  0.6627  0.5685  1.0
  Tl  Tl3  2  0.0000  0.3883  0.2747  1.0
  Ge  Ge4  2  0.0000  0.1274  0.0406  1.0
]