data_[Ac8Sm4Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.3671]
_cell_length_b [6.7764]
_cell_length_c [7.3571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0046]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ac2SmTl]
_chemical_formula_sum '[Ac8 Sm4 Tl4]'
_cell_volume [598.2357]
_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  8  0.2159  0.0051  0.5993  1
  Sm  Sm1  4  0.0000  0.3152  0.7500  1
  Tl  Tl2  4  0.0000  0.2140  0.2500  1
]