# generated using pymatgen
data_Nd3ThTe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39029344
_cell_length_b   12.12850463
_cell_length_c   12.32403241
_cell_angle_alpha   89.40358411
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3ThTe6
_chemical_formula_sum   'Nd6 Th2 Te12'
_cell_volume   656.19075729
_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  0.01187361  0.80656381  1.0
  Nd  Nd1  1  0.25000000  0.98812639  0.19343619  1.0
  Nd  Nd2  1  0.25000000  0.18375403  0.51527013  1.0
  Nd  Nd3  1  0.75000000  0.81624597  0.48472987  1.0
  Nd  Nd4  1  0.75000000  0.69205581  0.97683926  1.0
  Nd  Nd5  1  0.25000000  0.30794419  0.02316074  1.0
  Th  Th6  1  0.25000000  0.48667525  0.69698817  1.0
  Th  Th7  1  0.75000000  0.51332475  0.30301183  1.0
  Te  Te8  1  0.25000000  0.87768008  0.95009738  1.0
  Te  Te9  1  0.75000000  0.12231992  0.04990262  1.0
  Te  Te10  1  0.75000000  0.37634165  0.54033478  1.0
  Te  Te11  1  0.25000000  0.62365835  0.45966522  1.0
  Te  Te12  1  0.25000000  0.21102870  0.77250159  1.0
  Te  Te13  1  0.75000000  0.78897130  0.22749841  1.0
  Te  Te14  1  0.75000000  0.68446468  0.71679549  1.0
  Te  Te15  1  0.25000000  0.31553532  0.28320451  1.0
  Te  Te16  1  0.25000000  0.55430777  0.11409690  1.0
  Te  Te17  1  0.75000000  0.44569223  0.88590310  1.0
  Te  Te18  1  0.75000000  0.05546677  0.37525106  1.0
  Te  Te19  1  0.25000000  0.94453323  0.62474894  1.0