data_[Ba4Tl2Ge2]
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 [P2_1/m]
_cell_length_a [6.9311]
_cell_length_b [4.7141]
_cell_length_c [9.9715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6697]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2TlGe]
_chemical_formula_sum '[Ba4 Tl2 Ge2]'
_cell_volume [308.6671]
_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
[
  Ba  Ba0  2  0.2209  0.2500  0.4434  1.0
  Ba  Ba1  2  0.3111  0.7500  0.0800  1.0
  Tl  Tl2  2  0.1306  0.2500  0.7854  1.0
  Ge  Ge3  2  0.3452  0.7500  0.7174  1.0
]