data_[Li10Ac4Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ac  1.1000  1.9500  1.2600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1977]
_cell_length_b [5.3779]
_cell_length_c [8.0573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.1062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li5(AcCu2)2]
_chemical_formula_sum '[Li10 Ac4 Cu8]'
_cell_volume [462.0327]
_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
[
  Li  Li0  8  0.0460  0.2509  0.2484  1
  Li  Li1  2  0.0000  0.0000  0.5000  1
  Ac  Ac2  4  0.2266  0.5000  0.7840  1
  Cu  Cu3  4  0.1177  0.5000  0.0591  1
  Cu  Cu4  4  0.2317  0.0000  0.5593  1
]