data_[Si4Tc8Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Tc  1.9000  1.3500  0.7417
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.1337]
_cell_length_b [7.1337]
_cell_length_c [5.0506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [SiTc2Ag]
_chemical_formula_sum '[Si4 Tc8 Ag4]'
_cell_volume [257.0195]
_cell_formula_units_Z [4]
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
[
  Tc  Tc0  8  0.2015  0.2500  0.6250  1
  Si  Si1  4  0.0000  0.0000  0.5000  1
  Ag  Ag2  4  0.0000  0.0000  0.0000  1
]