# generated using pymatgen
data_La3Nd7C4I15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.80279288
_cell_length_b   10.66991224
_cell_length_c   11.80117758
_cell_angle_alpha   93.52846805
_cell_angle_beta   114.39299567
_cell_angle_gamma   109.48951868
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Nd7C4I15
_chemical_formula_sum   'La3 Nd7 C4 I15'
_cell_volume   1030.78897655
_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
  La  La0  1  0.70720997  0.56916548  0.04511429  1.0
  La  La1  1  0.29245070  0.43160217  0.95508011  1.0
  La  La2  1  0.65902397  0.25261482  0.83362457  1.0
  Nd  Nd3  1  0.59688082  0.54156077  0.34211448  1.0
  Nd  Nd4  1  0.34638757  0.74662840  0.16560728  1.0
  Nd  Nd5  1  0.77746996  0.88412965  0.25849499  1.0
  Nd  Nd6  1  0.52701212  0.18521348  0.10161246  1.0
  Nd  Nd7  1  0.22378623  0.11522698  0.74288185  1.0
  Nd  Nd8  1  0.40149361  0.45893405  0.65735993  1.0
  Nd  Nd9  1  0.47163625  0.81506473  0.89832362  1.0
  C  C10  1  0.48208437  0.29843289  0.93623653  1.0
  C  C11  1  0.51868183  0.70201967  0.06352630  1.0
  C  C12  1  0.45259344  0.36104785  0.83253172  1.0
  C  C13  1  0.54766795  0.63888790  0.16683762  1.0
  I  I14  1  0.20695582  0.90525380  0.93803939  1.0
  I  I15  1  0.10363356  0.18861941  0.46875626  1.0
  I  I16  1  0.15264311  0.55919141  0.70039700  1.0
  I  I17  1  0.40048237  0.96469505  0.64572629  1.0
  I  I18  1  0.70958587  0.73738567  0.81705152  1.0
  I  I19  1  0.28872898  0.26279532  0.18249009  1.0
  I  I20  1  0.84619154  0.44067961  0.29956830  1.0
  I  I21  1  0.89596054  0.81146923  0.53254159  1.0
  I  I22  1  0.35932756  0.63011331  0.41271208  1.0
  I  I23  1  0.05721652  0.83774373  0.22293955  1.0
  I  I24  1  0.79333729  0.09319337  0.06578925  1.0
  I  I25  1  0.64027654  0.37354512  0.58432509  1.0
  I  I26  1  0.94298067  0.16131517  0.77661367  1.0
  I  I27  1  0.59395846  0.03030570  0.35080468  1.0
  I  I28  1  0.00434141  0.50316327  0.00289848  1.0