# generated using pymatgen
data_Nd5Th(Te4Cl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27520381
_cell_length_b   14.06136664
_cell_length_c   16.14202279
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd5Th(Te4Cl)2
_chemical_formula_sum   'Nd10 Th2 Te16 Cl4'
_cell_volume   970.38106206
_cell_formula_units_Z   2
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  0.75000000  0.09533741  0.37093889  1.0
  Nd  Nd1  1  0.75000000  0.40466259  0.87093889  1.0
  Nd  Nd2  1  0.75000000  0.25352616  0.61402059  1.0
  Nd  Nd3  1  0.75000000  0.24647384  0.11402059  1.0
  Nd  Nd4  1  0.25000000  0.74426296  0.38495474  1.0
  Nd  Nd5  1  0.25000000  0.75573704  0.88495474  1.0
  Nd  Nd6  1  0.75000000  0.57690993  0.63268253  1.0
  Nd  Nd7  1  0.75000000  0.92309007  0.13268253  1.0
  Nd  Nd8  1  0.25000000  0.42280556  0.36915026  1.0
  Nd  Nd9  1  0.25000000  0.07719444  0.86915026  1.0
  Th  Th10  1  0.25000000  0.90681692  0.62708624  1.0
  Th  Th11  1  0.25000000  0.59318308  0.12708624  1.0
  Te  Te12  1  0.25000000  0.42110390  0.57105491  1.0
  Te  Te13  1  0.25000000  0.07889610  0.07105491  1.0
  Te  Te14  1  0.75000000  0.57960762  0.42974215  1.0
  Te  Te15  1  0.75000000  0.92039238  0.92974215  1.0
  Te  Te16  1  0.75000000  0.04811258  0.71560194  1.0
  Te  Te17  1  0.75000000  0.45188742  0.21560194  1.0
  Te  Te18  1  0.25000000  0.94845557  0.28457220  1.0
  Te  Te19  1  0.25000000  0.55154443  0.78457220  1.0
  Te  Te20  1  0.75000000  0.77881703  0.73289423  1.0
  Te  Te21  1  0.75000000  0.72118297  0.23289423  1.0
  Te  Te22  1  0.25000000  0.22528208  0.26476487  1.0
  Te  Te23  1  0.25000000  0.27471792  0.76476487  1.0
  Te  Te24  1  0.25000000  0.11098496  0.52343213  1.0
  Te  Te25  1  0.25000000  0.38901504  0.02343213  1.0
  Te  Te26  1  0.75000000  0.88797448  0.47814651  1.0
  Te  Te27  1  0.75000000  0.61202552  0.97814651  1.0
  Cl  Cl28  1  0.25000000  0.70365633  0.56981795  1.0
  Cl  Cl29  1  0.25000000  0.79634367  0.06981795  1.0
  Cl  Cl30  1  0.75000000  0.29669516  0.43113986  1.0
  Cl  Cl31  1  0.75000000  0.20330484  0.93113986  1.0