data_[Ac4Sb1As1I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.2178]
_cell_length_b [4.6844]
_cell_length_c [8.2973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9720]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ac4SbAsI2]
_chemical_formula_sum '[Ac4 Sb1 As1 I2]'
_cell_volume [302.0527]
_cell_formula_units_Z [1]
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  0.2190  0.5000  0.2065  1
  Ac  Ac1  2  0.2424  0.0000  0.7854  1
  Sb  Sb2  1  0.5000  0.5000  0.0000  1
  As  As3  1  0.0000  0.0000  0.0000  1
  I  I4  1  0.0000  0.5000  0.5000  1
  I  I5  1  0.5000  0.0000  0.5000  1
]