data_[Sr4Tl16Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.4756]
_cell_length_b [20.8532]
_cell_length_c [6.1703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1079]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SrTl4Ag]
_chemical_formula_sum '[Sr4 Tl16 Ag4]'
_cell_volume [734.9498]
_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
[
  Sr  Sr0  4  0.0000  0.4030  0.2500  1.0
  Tl  Tl1  8  0.1901  0.0549  0.1022  1.0
  Tl  Tl2  8  0.2379  0.2879  0.7291  1.0
  Ag  Ag3  4  0.0000  0.1619  0.7500  1.0
]