data_[Sc8Mn4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Mn  1.5500  1.4000  0.6483
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4557]
_cell_length_b [4.0181]
_cell_length_c [9.7340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5291]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2MnGe2]
_chemical_formula_sum '[Sc8 Mn4 Ge8]'
_cell_volume [359.2916]
_cell_formula_units_Z [4]
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  0.0025  0.0000  0.6724  1.0
  Sc  Sc1  4  0.1816  0.0000  0.1057  1.0
  Mn  Mn2  4  0.2206  0.5000  0.3744  1.0
  Ge  Ge3  4  0.0203  0.5000  0.8765  1.0
  Ge  Ge4  4  0.1402  0.5000  0.5755  1.0
]