data_[Sc16Co4Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Co  1.8800  1.3500  0.7683
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9937]
_cell_length_b [12.1506]
_cell_length_c [4.8391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7698]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc8Co2Ge]
_chemical_formula_sum '[Sc16 Co4 Ge2]'
_cell_volume [454.4816]
_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  8  0.2002  0.1326  0.0777  1
  Sc  Sc1  4  0.0000  0.2457  0.5000  1
  Sc  Sc2  4  0.1164  0.5000  0.3068  1
  Co  Co3  4  0.0000  0.3062  0.0000  1
  Ge  Ge4  2  0.0000  0.0000  0.5000  1
]