# generated using pymatgen
data_Ac3NdB4I5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.21811201
_cell_length_b   10.21811144
_cell_length_c   10.54643357
_cell_angle_alpha   73.96002199
_cell_angle_beta   73.96001778
_cell_angle_gamma   24.79767705
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ac3NdB4I5
_chemical_formula_sum   'Ac3 Nd1 B4 I5'
_cell_volume   442.97230493
_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  1  0.49586846  0.49586846  0.25524166  1.0
  Ac  Ac1  1  0.13714462  0.13714462  0.92518100  1.0
  Ac  Ac2  1  0.86467163  0.86467163  0.06489755  1.0
  Nd  Nd3  1  0.50496722  0.50496722  0.76062150  1.0
  B  B4  1  0.31678139  0.68481663  0.99928769  1.0
  B  B5  1  0.68481663  0.31678139  0.99928769  1.0
  B  B6  1  0.99980293  0.99980293  0.09093710  1.0
  B  B7  1  0.00189884  0.00189884  0.90624464  1.0
  I  I8  1  0.67465160  0.67465160  0.67118107  1.0
  I  I9  1  0.31983521  0.31983521  0.32109062  1.0
  I  I10  1  0.33139053  0.33139053  0.83844867  1.0
  I  I11  1  0.67567169  0.67567169  0.14604644  1.0
  I  I12  1  0.00679723  0.00679723  0.51173338  1.0