data_[Ac4Hf4Si16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Hf  1.3000  1.5500  0.8500
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [8.0923]
_cell_length_b [15.1055]
_cell_length_c [3.9410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [AcHfSi4]
_chemical_formula_sum '[Ac4 Hf4 Si16]'
_cell_volume [481.7399]
_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  0.1232  0.1485  0.0000  1
  Hf  Hf1  4  0.1254  0.4132  0.0000  1
  Si  Si2  4  0.0222  0.6943  0.5000  1
  Si  Si3  4  0.1232  0.5465  0.5000  1
  Si  Si4  4  0.1302  0.9587  0.5000  1
  Si  Si5  4  0.2221  0.8076  0.5000  1
]