data_[Sc12Al3In3Ag6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9028]
_cell_length_b [4.9028]
_cell_length_c [24.0307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sc4AlInAg2]
_chemical_formula_sum '[Sc12 Al3 In3 Ag6]'
_cell_volume [500.2524]
_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  6  0.0000  0.0000  0.1273  1
  Sc  Sc1  6  0.0000  0.0000  0.3775  1
  Al  Al2  3  -0.0000  -0.0000  0.5000  1
  In  In3  3  0.0000  0.0000  0.0000  1
  Ag  Ag4  6  0.0000  0.0000  0.2488  1
]