data_[Ac12Sm12Tl8]
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 [Cmcm]
_cell_length_a [5.1766]
_cell_length_b [12.9335]
_cell_length_c [17.6841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ac3Sm3Tl2]
_chemical_formula_sum '[Ac12 Sm12 Tl8]'
_cell_volume [1183.9848]
_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  0.0000  0.0539  0.6100  1
  Ac  Ac1  4  0.0000  0.3354  0.7500  1
  Sm  Sm2  8  0.0000  0.3646  0.5361  1
  Sm  Sm3  4  0.0000  0.3816  0.2500  1
  Tl  Tl4  8  0.0000  0.2272  0.1139  1
]