data_[Ac2Ce2Co2I2]
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
  Co  1.8800  1.3500  0.7683
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.9545]
_cell_length_b [4.3423]
_cell_length_c [8.6763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AcCeCoI]
_chemical_formula_sum '[Ac2 Ce2 Co2 I2]'
_cell_volume [248.6520]
_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  0.1354  0.5000  0.3183  1
  Ce  Ce1  2  0.3838  0.5000  0.9585  1
  Co  Co2  2  0.2119  0.0000  0.0989  1
  I  I3  2  0.4220  0.0000  0.6546  1
]