data_[Sc2Si2Ag2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Si  1.9000  1.1000  0.5400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.5028]
_cell_length_b [4.5028]
_cell_length_c [6.1693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [ScSiAg]
_chemical_formula_sum '[Sc2 Si2 Ag2]'
_cell_volume [108.3279]
_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  1  0.0000  0.0000  0.8285  1
  Sc  Sc1  1  0.6667  0.3333  0.1653  1
  Si  Si2  1  0.3333  0.6667  0.0479  1
  Si  Si3  1  0.6667  0.3333  0.6497  1
  Ag  Ag4  1  0.0000  0.0000  0.3376  1
  Ag  Ag5  1  0.3333  0.6667  0.5171  1
]