data_[Ac2Sc2Al4Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.3960]
_cell_length_b [4.4293]
_cell_length_c [11.8637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [AcScAl2Si]
_chemical_formula_sum '[Ac2 Sc2 Al4 Si2]'
_cell_volume [231.0035]
_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
[
  Ac  Ac0  2  0.0000  0.0000  0.4400  1
  Sc  Sc1  2  0.0000  0.5000  0.1970  1
  Al  Al2  2  0.0000  0.0000  0.0518  1
  Al  Al3  2  0.0000  0.5000  0.6910  1
  Si  Si4  2  0.0000  0.0000  0.8323  1
]