data_[Sc4Cr4Ge4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cr  1.6600  1.4000  0.9400
  Ge  2.0100  1.2500  0.7700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4206]
_cell_length_b [3.5322]
_cell_length_c [6.7774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8985]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2Cr2Ge2C]
_chemical_formula_sum '[Sc4 Cr4 Ge4 C2]'
_cell_volume [209.4548]
_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  0.0632  0.5000  0.2749  1.0
  Cr  Cr1  4  0.2017  0.0000  0.0699  1.0
  Ge  Ge2  4  0.1425  0.0000  0.6567  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
]