data_[Sc4Mn4Ge4C2]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8511]
_cell_length_b [3.8511]
_cell_length_c [13.7310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Sc2Mn2Ge2C]
_chemical_formula_sum '[Sc4 Mn4 Ge4 C2]'
_cell_volume [203.6416]
_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  0.0000  0.0000  0.1673  1.0
  Mn  Mn1  4  0.0000  0.5000  0.0000  1.0
  Ge  Ge2  4  0.0000  0.0000  0.3748  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
]