data_[Sc2Zn12Ag2]
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 [Amm2]
_cell_length_a [4.3319]
_cell_length_b [6.3601]
_cell_length_c [9.4644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ScZn6Ag]
_chemical_formula_sum '[Sc2 Zn12 Ag2]'
_cell_volume [260.7579]
_cell_formula_units_Z [2]
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  0.5000  0.0000  0.6205  1.0
  Zn  Zn1  4  0.0000  0.2110  0.1555  1.0
  Zn  Zn2  4  0.5000  0.2062  0.3437  1.0
  Zn  Zn3  2  0.0000  0.0000  0.4302  1.0
  Zn  Zn4  2  0.5000  0.0000  0.0728  1.0
  Ag  Ag5  2  0.0000  0.0000  0.8784  1.0
]