data_[Ba4Al2Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8805]
_cell_length_b [4.4023]
_cell_length_c [9.9180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5204]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2AlGe]
_chemical_formula_sum '[Ba4 Al2 Ge2]'
_cell_volume [284.8608]
_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  0.2097  0.2500  0.4293  1.0
  Ba  Ba1  2  0.2853  0.7500  0.0712  1.0
  Al  Al2  2  0.3300  0.7500  0.7249  1.0
  Ge  Ge3  2  0.1568  0.2500  0.7826  1.0
]