data_[Sc4Al2Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  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 [5.5276]
_cell_length_b [3.8388]
_cell_length_c [7.9751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6471]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sc2AlGe]
_chemical_formula_sum '[Sc4 Al2 Ge2]'
_cell_volume [161.2640]
_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
[
  Sc  Sc0  2  0.1945  0.7500  0.4232  1
  Sc  Sc1  2  0.2852  0.2500  0.0655  1
  Al  Al2  2  0.3775  0.2500  0.7066  1
  Ge  Ge3  2  0.1323  0.7500  0.7945  1
]