# generated using pymatgen
data_AcAlI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53357064
_cell_length_b   4.53357151
_cell_length_c   12.77072741
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000100
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcAlI
_chemical_formula_sum   'Ac2 Al2 I2'
_cell_volume   227.31448988
_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  1  0.00000000  0.00000000  0.17913267  1.0
  Ac  Ac1  1  0.00000000  0.00000000  0.82086733  1.0
  Al  Al2  1  0.33333300  0.66666700  0.98774921  1.0
  Al  Al3  1  0.66666700  0.33333300  0.01225079  1.0
  I  I4  1  0.66666700  0.33333300  0.64956721  1.0
  I  I5  1  0.33333300  0.66666700  0.35043279  1.0