data_[Ac2Mg2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Mg  1.3100  1.5000  0.8600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [15.3677]
_cell_length_b [4.2973]
_cell_length_c [19.8790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AcMgI4]
_chemical_formula_sum '[Ac2 Mg2 I8]'
_cell_volume [1312.8054]
_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  0.1099  0.7500  0.0029  1
  Mg  Mg1  2  0.3814  0.2500  0.9987  1
  I  I2  2  0.0415  0.2500  0.1227  1
  I  I3  2  0.2281  0.2500  0.9081  1
  I  I4  2  0.3047  0.7500  0.0844  1
  I  I5  2  0.4613  0.7500  0.9166  1
]