data_[Sc9Zn24Ag3]
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 [R3m]
_cell_length_a [5.2144]
_cell_length_b [5.2144]
_cell_length_c [25.6282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sc3Zn8Ag]
_chemical_formula_sum '[Sc9 Zn24 Ag3]'
_cell_volume [603.4782]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0029  1.0
  Sc  Sc1  3  0.0000  0.0000  0.4989  1.0
  Sc  Sc2  3  0.0000  0.0000  0.6234  1.0
  Zn  Zn3  9  0.0006  0.5003  0.0619  1.0
  Zn  Zn4  9  0.0013  0.5006  0.5628  1.0
  Zn  Zn5  3  0.0000  0.0000  0.3128  1.0
  Zn  Zn6  3  0.0000  0.0000  0.8123  1.0
  Ag  Ag7  3  0.0000  0.0000  0.1256  1.0
]