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 [Cm]
_cell_length_a [14.3443]
_cell_length_b [3.9243]
_cell_length_c [6.2347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6656]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NaTlGe]
_chemical_formula_sum '[Na4 Tl4 Ge4]'
_cell_volume [332.4955]
_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  0.1400  0.0000  0.1489  1.0
  Na  Na1  2  0.2364  0.5000  0.7195  1.0
  Tl  Tl2  2  0.0279  0.0000  0.5743  1.0
  Tl  Tl3  2  0.4406  0.0000  0.0592  1.0
  Ge  Ge4  2  0.3124  0.5000  0.2514  1.0
  Ge  Ge5  2  0.3598  0.0000  0.5311  1.0
]