# generated using pymatgen
data_Nd12Si3GeI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.80617485
_cell_length_b   10.77789411
_cell_length_c   10.80629219
_cell_angle_alpha   109.41865309
_cell_angle_beta   109.52535926
_cell_angle_gamma   109.41727208
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd12Si3GeI12
_chemical_formula_sum   'Nd12 Si3 Ge1 I12'
_cell_volume   969.48423387
_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  0.26655001  0.01654921  0.03309155  1.0
  Nd  Nd1  1  0.03391507  0.26696049  0.01695409  1.0
  Nd  Nd2  1  0.48304029  0.74999712  0.01695321  1.0
  Nd  Nd3  1  0.74652277  0.23236395  0.26489071  1.0
  Nd  Nd4  1  0.01837204  0.03252725  0.26489259  1.0
  Nd  Nd5  1  0.01836927  0.48584501  0.75347871  1.0
  Nd  Nd6  1  0.23511425  0.26763645  0.75347647  1.0
  Nd  Nd7  1  0.26654851  0.74999689  0.23345272  1.0
  Nd  Nd8  1  0.23510813  0.46747683  0.48162958  1.0
  Nd  Nd9  1  0.46690887  0.48345438  0.23345118  1.0
  Nd  Nd10  1  0.74652334  0.01415781  0.48163304  1.0
  Nd  Nd11  1  0.48304536  0.23304485  0.46607383  1.0
  Si  Si12  1  0.25021378  0.50021309  0.00042295  1.0
  Si  Si13  1  0.49957629  0.99978649  0.24978550  1.0
  Si  Si14  1  0.25021166  0.25000179  0.24978428  1.0
  Ge  Ge15  1  0.00000300  0.25000224  0.50000187  1.0
  I  I16  1  0.75815472  0.74248980  0.24988147  1.0
  I  I17  1  0.50811491  0.25004053  0.99193150  1.0
  I  I18  1  0.25014408  0.99261534  0.50830711  1.0
  I  I19  1  0.51506384  0.50750401  0.75749065  1.0
  I  I20  1  0.99170999  0.98430709  0.74183971  1.0
  I  I21  1  0.74247017  0.99247806  0.98495419  1.0
  I  I22  1  0.50805860  0.75807029  0.51615187  1.0
  I  I23  1  0.75815194  0.51566670  0.50829588  1.0
  I  I24  1  0.99169229  0.50738882  0.24988037  1.0
  I  I25  1  0.98384968  0.74190879  0.99195806  1.0
  I  I26  1  0.25013032  0.75751776  0.74182635  1.0
  I  I27  1  0.74243581  0.24999895  0.75751157  1.0