data_[Li12Ac4Pt8]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4455]
_cell_length_b [4.1933]
_cell_length_c [8.0280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8311]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3AcPt2]
_chemical_formula_sum '[Li12 Ac4 Pt8]'
_cell_volume [468.0094]
_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
[
  Li  Li0  4  0.0544  0.0000  0.3916  1
  Li  Li1  4  0.0907  0.5000  0.6597  1
  Li  Li2  4  0.1913  0.5000  0.4712  1
  Ac  Ac3  4  0.1434  0.0000  0.0501  1
  Pt  Pt4  4  0.0237  0.5000  0.1832  1
  Pt  Pt5  4  0.2039  0.0000  0.7185  1
]