data_[Sc8Ni8Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8446]
_cell_length_b [5.0968]
_cell_length_c [7.2290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc2Ni2Ge]
_chemical_formula_sum '[Sc8 Ni8 Ge4]'
_cell_volume [314.5892]
_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  8  0.1524  0.1442  0.1513  1.0
  Ni  Ni1  8  0.1326  0.3662  0.4960  1.0
  Ge  Ge2  4  0.0000  0.3236  0.7500  1.0
]