data_[Ac4Tl4Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5960]
_cell_length_b [5.9784]
_cell_length_c [9.8301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0519]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcTlAg]
_chemical_formula_sum '[Ac4 Tl4 Ag4]'
_cell_volume [372.5213]
_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
[
  Ac  Ac0  4  0.2272  0.5000  0.7179  1
  Tl  Tl1  4  0.2408  0.5000  0.0788  1
  Ag  Ag2  4  0.1989  0.0000  0.5952  1
]