data_[Ba4Al2Ge2N2]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3430]
_cell_length_b [4.2642]
_cell_length_c [9.3738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2AlGeN]
_chemical_formula_sum '[Ba4 Al2 Ge2 N2]'
_cell_volume [277.8890]
_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  0.1888  0.2500  0.3847  1
  Ba  Ba1  2  0.2028  0.2500  0.9591  1
  Al  Al2  2  0.4551  0.7500  0.2446  1
  Ge  Ge3  2  0.3447  0.7500  0.7036  1
  N  N4  2  0.1912  0.7500  0.1732  1
]