data_[Sr4Al2Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [6.4697]
_cell_length_b [4.3300]
_cell_length_c [9.3605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7472]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr2AlGe]
_chemical_formula_sum '[Sr4 Al2 Ge2]'
_cell_volume [249.7437]
_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
[
  Sr  Sr0  2  0.2051  0.2500  0.4244  1.0
  Sr  Sr1  2  0.2837  0.7500  0.0670  1.0
  Al  Al2  2  0.3468  0.7500  0.7204  1.0
  Ge  Ge3  2  0.1536  0.2500  0.7820  1.0
]