data_[Ba2Ac2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ac  1.1000  1.9500  1.2600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2194]
_cell_length_b [4.9501]
_cell_length_c [15.6631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaAcI5]
_chemical_formula_sum '[Ba2 Ac2 I10]'
_cell_volume [714.4658]
_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
[
  Ba  Ba0  2  0.0776  0.2500  0.1459  1
  Ac  Ac1  2  0.4258  0.7500  0.3502  1
  I  I2  2  0.0695  0.7500  0.3209  1
  I  I3  2  0.1564  0.2500  0.9289  1
  I  I4  2  0.3149  0.2500  0.4825  1
  I  I5  2  0.3600  0.7500  0.7035  1
  I  I6  2  0.3647  0.7500  0.1414  1
]