data_[Ac2Ce2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ce  1.1200  1.8500  1.0800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1007]
_cell_length_b [7.3520]
_cell_length_c [7.9592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [AcCeF6]
_chemical_formula_sum '[Ac2 Ce2 F12]'
_cell_volume [239.9612]
_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  0.5000  0.0000  0.5015  1
  Ce  Ce1  2  0.0000  0.0000  0.9806  1
  F  F2  4  0.0000  0.1898  0.3899  1
  F  F3  4  0.5000  0.1776  0.1151  1
  F  F4  2  0.0000  0.0000  0.6740  1
  F  F5  2  0.5000  0.0000  0.8339  1
]