data_[Sc2Zn7Ag12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [11.8263]
_cell_length_b [11.8263]
_cell_length_c [2.9990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Sc2Zn7Ag12]
_chemical_formula_sum '[Sc2 Zn7 Ag12]'
_cell_volume [363.2547]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.2457  1
  Zn  Zn1  6  0.1350  0.4252  0.7468  1
  Zn  Zn2  1  0.0000  0.0000  0.5000  1
  Ag  Ag3  6  0.0771  0.8319  0.2409  1
  Ag  Ag4  6  0.0856  0.6217  0.7484  1
]