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 [6.9143]
_cell_length_b [4.3796]
_cell_length_c [9.9602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2AlGe]
_chemical_formula_sum '[Ba4 Al2 Ge2]'
_cell_volume [285.9424]
_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  0.2101  0.7500  0.4297  1
  Ba  Ba1  2  0.2856  0.2500  0.0716  1
  Al  Al2  2  0.3294  0.2500  0.7249  1
  Ge  Ge3  2  0.1572  0.7500  0.7822  1
]