# generated using pymatgen
data_Nd12Ga3AsI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.85286759
_cell_length_b   10.82491566
_cell_length_c   10.82453703
_cell_angle_alpha   109.41465641
_cell_angle_beta   109.52034959
_cell_angle_gamma   109.52663614
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd12Ga3AsI12
_chemical_formula_sum   'Nd12 Ga3 As1 I12'
_cell_volume   978.35989753
_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
  Nd  Nd0  1  0.46891449  0.48403662  0.23439637  1.0
  Nd  Nd1  1  0.74999839  0.23486810  0.26508146  1.0
  Nd  Nd2  1  0.74998135  0.01466361  0.48527253  1.0
  Nd  Nd3  1  0.23530375  0.47062846  0.48533300  1.0
  Nd  Nd4  1  0.26552420  0.75043917  0.23439531  1.0
  Nd  Nd5  1  0.03107925  0.26561106  0.01601860  1.0
  Nd  Nd6  1  0.01504962  0.03019019  0.26508394  1.0
  Nd  Nd7  1  0.48495751  0.75043219  0.01607137  1.0
  Nd  Nd8  1  0.48491218  0.23487694  0.46977663  1.0
  Nd  Nd9  1  0.01510383  0.48399501  0.74961899  1.0
  Nd  Nd10  1  0.26469267  0.01464067  0.02938378  1.0
  Nd  Nd11  1  0.23448837  0.26560639  0.74957481  1.0
  Ga  Ga12  1  0.25000298  0.25039340  0.24960883  1.0
  Ga  Ga13  1  0.49961353  0.99923815  0.24962766  1.0
  Ga  Ga14  1  0.00038950  0.25037785  0.50076698  1.0
  As  As15  1  0.25001481  0.50000427  0.00003947  1.0
  I  I16  1  0.25000331  0.75727434  0.74268757  1.0
  I  I17  1  0.51566406  0.50824785  0.75893348  1.0
  I  I18  1  0.98436779  0.74110253  0.99176773  1.0
  I  I19  1  0.74323471  0.25064998  0.75891584  1.0
  I  I20  1  0.99270037  0.98544071  0.74270383  1.0
  I  I21  1  0.25000231  0.99189338  0.50812941  1.0
  I  I22  1  0.75811536  0.51625109  0.50813339  1.0
  I  I23  1  0.50739423  0.25066683  0.99171004  1.0
  I  I24  1  0.75675807  0.74108355  0.24933872  1.0
  I  I25  1  0.74186052  0.99182928  0.98371993  1.0
  I  I26  1  0.99259132  0.50828585  0.24934712  1.0
  I  I27  1  0.50728050  0.75727155  0.51455922  1.0