# generated using pymatgen
data_Tb9Nd3(SiI3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.57061895
_cell_length_b   10.55603368
_cell_length_c   10.56906841
_cell_angle_alpha   109.68008645
_cell_angle_beta   109.37660228
_cell_angle_gamma   109.32643635
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb9Nd3(SiI3)4
_chemical_formula_sum   'Tb9 Nd3 Si4 I12'
_cell_volume   908.18835509
_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
  Tb  Tb0  1  0.23068800  0.46181966  0.48079541  1.0
  Tb  Tb1  1  0.26898720  0.75006869  0.23092761  1.0
  Tb  Tb2  1  0.03877203  0.26938601  0.01938601  1.0
  Tb  Tb3  1  0.01848079  0.03782617  0.26899478  1.0
  Tb  Tb4  1  0.48012324  0.74956784  0.01884349  1.0
  Tb  Tb5  1  0.48012524  0.23055640  0.46127975  1.0
  Tb  Tb6  1  0.01848079  0.48065463  0.74948602  1.0
  Tb  Tb7  1  0.26898720  0.01891751  0.03805859  1.0
  Tb  Tb8  1  0.23068800  0.26886835  0.74989259  1.0
  Nd  Nd9  1  0.46872061  0.48436030  0.23435930  1.0
  Nd  Nd10  1  0.74885178  0.23421734  0.26568058  1.0
  Nd  Nd11  1  0.74885278  0.01463644  0.48317220  1.0
  Si  Si12  1  0.24770876  0.24803389  0.24975591  1.0
  Si  Si13  1  0.49577031  0.99788516  0.24788516  1.0
  Si  Si14  1  0.00327468  0.25163784  0.50163784  1.0
  Si  Si15  1  0.24770876  0.49967587  0.99795285  1.0
  I  I16  1  0.24926788  0.75459711  0.74461900  1.0
  I  I17  1  0.50936574  0.50468387  0.75468487  1.0
  I  I18  1  0.99051584  0.74525742  0.99525742  1.0
  I  I19  1  0.74562928  0.25799253  0.76238585  1.0
  I  I20  1  0.99961107  0.98832378  0.74829445  1.0
  I  I21  1  0.24926588  0.99466978  0.50464788  1.0
  I  I22  1  0.75926925  0.51808035  0.51898362  1.0
  I  I23  1  0.49817215  0.24062375  0.98086476  1.0
  I  I24  1  0.75926825  0.74118790  0.24028563  1.0
  I  I25  1  0.74562828  0.98763575  0.98324543  1.0
  I  I26  1  0.99961107  0.51128729  0.25131662  1.0
  I  I27  1  0.49817415  0.75755040  0.51730639  1.0