data_[Cs4Tl4Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.1602]
_cell_length_b [7.3871]
_cell_length_c [10.6984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CsTlAg]
_chemical_formula_sum '[Cs4 Tl4 Ag4]'
_cell_volume [486.8446]
_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
[
  Cs  Cs0  2  0.0000  0.0000  0.8669  1.0
  Cs  Cs1  2  0.0000  0.5000  0.6331  1.0
  Tl  Tl2  2  0.0000  0.0000  0.4887  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0913  1.0
  Ag  Ag4  4  0.0000  0.1963  0.2570  1.0
]