data_[Ac8Tl4Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8742]
_cell_length_b [4.0800]
_cell_length_c [7.3088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5149]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac4Tl2Cu]
_chemical_formula_sum '[Ac8 Tl4 Cu2]'
_cell_volume [519.9292]
_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  0.0868  0.0000  0.4253  1
  Ac  Ac1  4  0.1221  0.5000  0.9556  1
  Tl  Tl2  4  0.2440  0.5000  0.6782  1
  Cu  Cu3  2  0.0000  0.0000  0.0000  1
]