data_[Ac8Cu8Sn16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7493]
_cell_length_b [9.5548]
_cell_length_c [18.5325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [AcCuSn2]
_chemical_formula_sum '[Ac8 Cu8 Sn16]'
_cell_volume [840.9803]
_cell_formula_units_Z [8]
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  0.2580  0.0000  1
  Ac  Ac1  4  0.0000  0.5000  0.2050  1
  Cu  Cu2  8  0.0000  0.2446  0.3532  1
  Sn  Sn3  8  0.0000  0.1565  0.1893  1
  Sn  Sn4  4  0.0000  0.0000  0.4228  1
  Sn  Sn5  4  0.0000  0.5000  0.4189  1
]