data_[Zr20Tl4Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [13.4923]
_cell_length_b [8.6038]
_cell_length_c [5.9950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2197]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr5TlAg]
_chemical_formula_sum '[Zr20 Tl4 Ag4]'
_cell_volume [661.0364]
_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
[
  Zr  Zr0  8  0.1099  0.4334  0.9445  1
  Zr  Zr1  8  0.1774  0.0320  0.1395  1
  Zr  Zr2  4  0.0000  0.2424  0.2500  1
  Tl  Tl3  4  0.0000  0.1374  0.7500  1
  Ag  Ag4  4  0.2500  0.2500  0.5000  1
]