data_[Ac4Al8Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Al  1.6100  1.2500  0.6750
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.5019]
_cell_length_b [8.2428]
_cell_length_c [5.5059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [AcAl2Pt3]
_chemical_formula_sum '[Ac4 Al8 Pt12]'
_cell_volume [476.6171]
_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  4  0.0000  0.3193  0.2500  1
  Al  Al1  8  0.2043  0.0000  0.0000  1
  Pt  Pt2  8  0.1848  0.2941  0.7500  1
  Pt  Pt3  4  0.0000  0.0582  0.7500  1
]