data_[Ac4La2Tl6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8413]
_cell_length_b [13.5766]
_cell_length_c [8.1315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2La(TlSe2)3]
_chemical_formula_sum '[Ac4 La2 Tl6 Se12]'
_cell_volume [819.7569]
_cell_formula_units_Z [2]
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  0.0000  0.3334  0.0000  1
  La  La1  2  0.0000  0.0000  0.0000  1
  Tl  Tl2  4  0.0000  0.1669  0.5000  1
  Tl  Tl3  2  0.0000  0.5000  0.5000  1
  Se  Se4  8  0.2345  0.1628  0.2150  1
  Se  Se5  4  0.2465  0.5000  0.2166  1
]