data_[Ac4La8F44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  La  1.1000  1.9500  1.1720
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.9346]
_cell_length_b [10.8669]
_cell_length_c [12.2253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [AcLa2F11]
_chemical_formula_sum '[Ac4 La8 F44]'
_cell_volume [1186.9747]
_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
[
  La  La0  8  0.1651  0.1909  0.5000  1
  Ac  Ac1  4  0.0000  0.5000  0.2500  1
  F  F2  16  0.1030  0.3260  0.3601  1
  F  F3  16  0.2060  0.4227  0.1300  1
  F  F4  8  0.1054  0.1846  0.0000  1
  F  F5  4  0.0000  0.0000  0.0000  1
]