data_[Ac2U2Tl4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  U  1.3800  1.7500  0.9913
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5227]
_cell_length_b [7.8114]
_cell_length_c [13.3577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9269]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AcU(TlSe3)2]
_chemical_formula_sum '[Ac2 U2 Tl4 Se12]'
_cell_volume [651.2986]
_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  2  0.5000  0.0000  0.0000  1
  U  U1  2  0.0000  0.0000  0.5000  1
  Tl  Tl2  4  0.2573  0.0574  0.2555  1
  Se  Se3  4  0.1258  0.0500  0.7328  1
  Se  Se4  4  0.2132  0.7011  0.5591  1
  Se  Se5  4  0.3542  0.1618  0.5489  1
]