# generated using pymatgen
data_SrNd6FeI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.94110226
_cell_length_b   9.94110199
_cell_length_c   9.94110216
_cell_angle_alpha   106.44434054
_cell_angle_beta   106.44434102
_cell_angle_gamma   106.44433214
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNd6FeI12
_chemical_formula_sum   'Sr1 Nd6 Fe1 I12'
_cell_volume   830.27061450
_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
  Sr  Sr0  1  0.50000000  0.50000000  0.50000000  1.0
  Nd  Nd1  1  0.09540576  0.29813426  0.02193209  1.0
  Nd  Nd2  1  0.02193209  0.09540576  0.29813426  1.0
  Nd  Nd3  1  0.29813426  0.02193209  0.09540576  1.0
  Nd  Nd4  1  0.90459424  0.70186574  0.97806791  1.0
  Nd  Nd5  1  0.97806791  0.90459424  0.70186574  1.0
  Nd  Nd6  1  0.70186574  0.97806791  0.90459424  1.0
  Fe  Fe7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.45575984  0.37394797  0.14121551  1.0
  I  I9  1  0.14121551  0.45575984  0.37394797  1.0
  I  I10  1  0.37394797  0.14121551  0.45575984  1.0
  I  I11  1  0.54424016  0.62605203  0.85878449  1.0
  I  I12  1  0.85878449  0.54424016  0.62605203  1.0
  I  I13  1  0.62605203  0.85878449  0.54424016  1.0
  I  I14  1  0.77186822  0.32120716  0.92596516  1.0
  I  I15  1  0.92596516  0.77186822  0.32120716  1.0
  I  I16  1  0.32120716  0.92596516  0.77186822  1.0
  I  I17  1  0.22813178  0.67879284  0.07403484  1.0
  I  I18  1  0.07403484  0.22813178  0.67879284  1.0
  I  I19  1  0.67879284  0.07403484  0.22813178  1.0