data_[Ac4Ho2Tl6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ho  1.2300  1.7500  1.0410
  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 [7.7018]
_cell_length_b [13.3147]
_cell_length_c [8.1393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2Ho(TlSe2)3]
_chemical_formula_sum '[Ac4 Ho2 Tl6 Se12]'
_cell_volume [792.2850]
_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  0.3333  0.0000  1
  Ho  Ho1  2  0.0000  0.0000  0.0000  1
  Tl  Tl2  4  0.0000  0.1668  0.5000  1
  Tl  Tl3  2  0.0000  0.5000  0.5000  1
  Se  Se4  8  0.2268  0.1563  0.2107  1
  Se  Se5  4  0.2414  0.0000  0.7847  1
]