# generated using pymatgen
data_CeNd2ThSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.48287588
_cell_length_b   4.13958942
_cell_length_c   11.29707733
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeNd2ThSe6
_chemical_formula_sum   'Ce2 Nd4 Th2 Se12'
_cell_volume   536.99969650
_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
  Ce  Ce0  1  0.48623910  0.25000000  0.18486955  1.0
  Ce  Ce1  1  0.98623910  0.25000000  0.31513045  1.0
  Nd  Nd2  1  0.51302035  0.75000000  0.81309657  1.0
  Nd  Nd3  1  0.01302035  0.75000000  0.68690343  1.0
  Nd  Nd4  1  0.69335261  0.75000000  0.49137335  1.0
  Nd  Nd5  1  0.19335261  0.75000000  0.00862665  1.0
  Th  Th6  1  0.30954816  0.25000000  0.49961312  1.0
  Th  Th7  1  0.80954816  0.25000000  0.00038688  1.0
  Se  Se8  1  0.54602858  0.25000000  0.62396259  1.0
  Se  Se9  1  0.04602858  0.25000000  0.87603741  1.0
  Se  Se10  1  0.45075120  0.75000000  0.37394888  1.0
  Se  Se11  1  0.95075120  0.75000000  0.12605112  1.0
  Se  Se12  1  0.62221609  0.75000000  0.05341872  1.0
  Se  Se13  1  0.12221609  0.75000000  0.44658128  1.0
  Se  Se14  1  0.37591357  0.25000000  0.94313557  1.0
  Se  Se15  1  0.87591357  0.25000000  0.55686443  1.0
  Se  Se16  1  0.72614108  0.25000000  0.29453717  1.0
  Se  Se17  1  0.22614108  0.25000000  0.20546283  1.0
  Se  Se18  1  0.27678926  0.75000000  0.69290747  1.0
  Se  Se19  1  0.77678926  0.75000000  0.80709253  1.0