data_[Tl4Si4Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Si  1.9000  1.1000  0.5400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.8900]
_cell_length_b [3.7659]
_cell_length_c [7.9798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.0211]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlSiAg]
_chemical_formula_sum '[Tl4 Si4 Ag4]'
_cell_volume [273.6301]
_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
[
  Tl  Tl0  2  0.1168  0.5000  0.4195  1
  Tl  Tl1  2  0.2820  0.5000  0.0046  1
  Si  Si2  2  0.3725  0.0000  0.4549  1
  Si  Si3  2  0.4879  0.5000  0.6832  1
  Ag  Ag4  2  0.1160  0.0000  0.0926  1
  Ag  Ag5  2  0.3736  0.0000  0.8022  1
]