data_[Ac4Co36Si16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Co  1.8800  1.3500  0.7683
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.8158]
_cell_length_b [7.8158]
_cell_length_c [11.5659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [AcCo9Si4]
_chemical_formula_sum '[Ac4 Co36 Si16]'
_cell_volume [706.5204]
_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  0.0000  0.2500  1
  Co  Co1  16  0.0696  0.2008  0.0000  1
  Co  Co2  16  0.1276  0.3724  0.8204  1
  Co  Co3  4  0.0000  0.5000  0.0000  1
  Si  Si4  16  0.1686  0.3314  0.3804  1
]