data_[Sc8Ge12W16N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ge  2.0100  1.2500  0.7700
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4980]
_cell_length_b [5.5549]
_cell_length_c [12.9806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8746]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc2Ge3W4N3]
_chemical_formula_sum '[Sc8 Ge12 W16 N12]'
_cell_volume [664.8769]
_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  0.0521  0.4152  0.3971  1
  Ge  Ge1  8  0.1875  0.3928  0.7490  1
  Ge  Ge2  4  0.0000  0.0422  0.2500  1
  W  W3  8  0.1128  0.0686  0.5824  1
  W  W4  8  0.2152  0.0922  0.9171  1
  N  N5  8  0.0762  0.2683  0.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]