data_[Ba8Tl8Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1961]
_cell_length_b [4.7073]
_cell_length_c [13.0945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3114]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Tl2Ge]
_chemical_formula_sum '[Ba8 Tl8 Ge4]'
_cell_volume [741.2758]
_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
[
  Ba  Ba0  4  0.0943  0.0000  0.8874  1.0
  Ba  Ba1  4  0.2071  0.5000  0.6535  1.0
  Tl  Tl2  4  0.0740  0.0000  0.4344  1.0
  Tl  Tl3  4  0.1263  0.5000  0.1161  1.0
  Ge  Ge4  4  0.0519  0.5000  0.3002  1.0
]