# generated using pymatgen
data_Nd2Th6CrSe17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.39208826
_cell_length_b   8.39208738
_cell_length_c   11.23423925
_cell_angle_alpha   80.43894103
_cell_angle_beta   80.43893632
_cell_angle_gamma   65.17893235
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2Th6CrSe17
_chemical_formula_sum   'Nd2 Th6 Cr1 Se17'
_cell_volume   704.01494661
_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  0.81454366  0.30616729  0.29657179  1.0
  Nd  Nd1  1  0.69383271  0.18545634  0.70342821  1.0
  Th  Th2  1  0.18248218  0.69632420  0.70530181  1.0
  Th  Th3  1  0.30367580  0.81751782  0.29469819  1.0
  Th  Th4  1  0.20473753  0.20345776  0.54488495  1.0
  Th  Th5  1  0.79654224  0.79526247  0.45511505  1.0
  Th  Th6  1  0.68118474  0.68068819  0.97902916  1.0
  Th  Th7  1  0.31931181  0.31881526  0.02097084  1.0
  Cr  Cr8  1  0.99886084  0.00113916  0.00000000  1.0
  Se  Se9  1  0.82613570  0.43018179  0.53287053  1.0
  Se  Se10  1  0.56981821  0.17386430  0.46712947  1.0
  Se  Se11  1  0.18170914  0.56696556  0.46653661  1.0
  Se  Se12  1  0.43303444  0.81829086  0.53346339  1.0
  Se  Se13  1  0.94501610  0.32036186  0.02417822  1.0
  Se  Se14  1  0.67963714  0.05498390  0.97582178  1.0
  Se  Se15  1  0.05249335  0.68071916  0.97453274  1.0
  Se  Se16  1  0.31928084  0.94750665  0.02546726  1.0
  Se  Se17  1  0.21902176  0.20889530  0.27824920  1.0
  Se  Se18  1  0.79110470  0.78097824  0.72175080  1.0
  Se  Se19  1  0.05811300  0.05354073  0.77695141  1.0
  Se  Se20  1  0.94645927  0.94188700  0.22304859  1.0
  Se  Se21  1  0.29330646  0.30480749  0.75899937  1.0
  Se  Se22  1  0.69519251  0.70669354  0.24100063  1.0
  Se  Se23  1  0.51330685  0.52510025  0.83393010  1.0
  Se  Se24  1  0.47489975  0.48669315  0.16606990  1.0
  Se  Se25  1  0.00630127  0.99369873  0.50000000  1.0