data_[Sc4Be4Fe10Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Be  1.5700  1.0500  0.5900
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.5994]
_cell_length_b [8.5994]
_cell_length_c [3.4008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Sc2Be2Fe5Ge]
_chemical_formula_sum '[Sc4 Be4 Fe10 Ge2]'
_cell_volume [251.4894]
_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  4  0.1794  0.3206  0.0000  1
  Be  Be1  4  0.1136  0.6136  0.0000  1
  Fe  Fe2  8  0.0659  0.7840  0.5000  1
  Fe  Fe3  2  0.0000  0.5000  0.5000  1
  Ge  Ge4  2  0.0000  0.0000  0.0000  1
]