data_[Na4Tl4Ge4]
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 [Amm2]
_cell_length_a [3.9368]
_cell_length_b [4.5197]
_cell_length_c [18.7562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NaTlGe]
_chemical_formula_sum '[Na4 Tl4 Ge4]'
_cell_volume [333.7275]
_cell_formula_units_Z [4]
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  2  0.5000  0.0000  0.3430  1.0
  Na  Na1  2  0.5000  0.0000  0.5452  1.0
  Tl  Tl2  2  0.0000  0.0000  0.7327  1.0
  Tl  Tl3  2  0.0000  0.0000  0.9366  1.0
  Ge  Ge4  2  0.0000  0.0000  0.0939  1.0
  Ge  Ge5  2  0.5000  0.0000  0.1766  1.0
]