# generated using pymatgen
data_Nd7ThSe12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.47430870
_cell_length_b   4.15577894
_cell_length_c   11.25072652
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.74836112
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd7ThSe12
_chemical_formula_sum   'Nd7 Th1 Se12'
_cell_volume   536.48223706
_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  0.48229538  0.25000000  0.18802788  1.0
  Nd  Nd1  1  0.99006126  0.25000000  0.31669787  1.0
  Nd  Nd2  1  0.51265334  0.75000000  0.81044912  1.0
  Nd  Nd3  1  0.01219586  0.75000000  0.68528377  1.0
  Nd  Nd4  1  0.69166678  0.75000000  0.48837084  1.0
  Nd  Nd5  1  0.19571351  0.75000000  0.99894724  1.0
  Nd  Nd6  1  0.30789940  0.25000000  0.50634199  1.0
  Th  Th7  1  0.80739241  0.25000000  0.00508857  1.0
  Se  Se8  1  0.54954597  0.25000000  0.62458772  1.0
  Se  Se9  1  0.04196914  0.25000000  0.87528880  1.0
  Se  Se10  1  0.45267401  0.75000000  0.37365543  1.0
  Se  Se11  1  0.95379752  0.75000000  0.12597636  1.0
  Se  Se12  1  0.61921818  0.75000000  0.05517314  1.0
  Se  Se13  1  0.12253702  0.75000000  0.44515359  1.0
  Se  Se14  1  0.38184146  0.25000000  0.94411691  1.0
  Se  Se15  1  0.87559665  0.25000000  0.55632498  1.0
  Se  Se16  1  0.73004633  0.25000000  0.29125135  1.0
  Se  Se17  1  0.22390641  0.25000000  0.19498040  1.0
  Se  Se18  1  0.27137819  0.75000000  0.70256095  1.0
  Se  Se19  1  0.77761018  0.75000000  0.81172309  1.0