data_[Sc4Zn5Ag1]
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 [P4/mmm]
_cell_length_a [3.3669]
_cell_length_b [3.3669]
_cell_length_c [16.2439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Sc4Zn5Ag]
_chemical_formula_sum '[Sc4 Zn5 Ag1]'
_cell_volume [184.1452]
_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  0.0000  0.0000  0.1943  1.0
  Sc  Sc1  2  0.0000  0.0000  0.3978  1.0
  Zn  Zn2  2  0.5000  0.5000  0.0906  1.0
  Zn  Zn3  2  0.5000  0.5000  0.2972  1.0
  Zn  Zn4  1  0.5000  0.5000  0.5000  1.0
  Ag  Ag5  1  0.0000  0.0000  0.0000  1.0
]