# generated using pymatgen
data_Th20C17N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.00906805
_cell_length_b   10.01266503
_cell_length_c   12.52899537
_cell_angle_alpha   62.85990401
_cell_angle_beta   62.85786628
_cell_angle_gamma   44.35962014
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th20C17N
_chemical_formula_sum   'Th20 C17 N1'
_cell_volume   763.96320789
_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
  Th  Th0  1  0.22362347  0.47635342  0.95036888  1.0
  Th  Th1  1  0.72332057  0.96754335  0.95528814  1.0
  Th  Th2  1  0.56697749  0.32924746  0.64849152  1.0
  Th  Th3  1  0.43241437  0.67056085  0.35148455  1.0
  Th  Th4  1  0.27646203  0.03340246  0.04421510  1.0
  Th  Th5  1  0.08085881  0.81597465  0.64792038  1.0
  Th  Th6  1  0.12425485  0.37463951  0.75049661  1.0
  Th  Th7  1  0.91907990  0.18354405  0.35217946  1.0
  Th  Th8  1  0.96711348  0.72290399  0.45548238  1.0
  Th  Th9  1  0.77689756  0.52301196  0.05007141  1.0
  Th  Th10  1  0.62555772  0.87599924  0.74904014  1.0
  Th  Th11  1  0.81608889  0.08040140  0.14804229  1.0
  Th  Th12  1  0.47641579  0.22336591  0.44985332  1.0
  Th  Th13  1  0.67028142  0.43465178  0.85136392  1.0
  Th  Th14  1  0.52369418  0.77627485  0.55014579  1.0
  Th  Th15  1  0.32921374  0.56676474  0.14900065  1.0
  Th  Th16  1  0.37371241  0.12451978  0.25074155  1.0
  Th  Th17  1  0.18474521  0.91896039  0.85235634  1.0
  Th  Th18  1  0.03237847  0.27698494  0.54464127  1.0
  Th  Th19  1  0.87567132  0.62554919  0.24899714  1.0
  C  C20  1  0.92576829  0.67637430  0.85298567  1.0
  C  C21  1  0.57867392  0.83218052  0.14164018  1.0
  C  C22  1  0.77715540  0.02747590  0.54803754  1.0
  C  C23  1  0.41909506  0.16831995  0.86036266  1.0
  C  C24  1  0.62838169  0.37406367  0.24967445  1.0
  C  C25  1  0.28185748  0.52826394  0.55590602  1.0
  C  C26  1  0.47177610  0.72048153  0.94640235  1.0
  C  C27  1  0.32224161  0.07451438  0.64900192  1.0
  C  C28  1  0.16773687  0.42056878  0.35697861  1.0
  C  C29  1  0.97565553  0.22433657  0.95150341  1.0
  C  C30  1  0.83186727  0.57908368  0.64181671  1.0
  C  C31  1  0.02536186  0.77265854  0.05113721  1.0
  C  C32  1  0.67622136  0.92422737  0.34861751  1.0
  C  C33  1  0.72010194  0.47105062  0.44207682  1.0
  C  C34  1  0.52693569  0.28190374  0.05653016  1.0
  C  C35  1  0.37380521  0.62381942  0.75187568  1.0
  C  C36  1  0.22448317  0.97626486  0.44715019  1.0
  N  N37  1  0.07411885  0.32375831  0.14812307  1.0