data_[Na4Tl4Ge4As8]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8449]
_cell_length_b [3.9202]
_cell_length_c [10.4522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTlGeAs2]
_chemical_formula_sum '[Na4 Tl4 Ge4 As8]'
_cell_volume [546.5374]
_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  4  0.1397  0.5000  0.8300  1.0
  Tl  Tl1  4  0.2334  0.0000  0.6591  1.0
  Ge  Ge2  4  0.0430  0.0000  0.1803  1.0
  As  As3  4  0.0858  0.5000  0.3596  1.0
  As  As4  4  0.1365  0.0000  0.0467  1.0
]