# generated using pymatgen
data_Ba4Nd7ThSe16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32570978
_cell_length_b   12.91337348
_cell_length_c   15.60865445
_cell_angle_alpha   90.46328655
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Nd7ThSe16
_chemical_formula_sum   'Ba4 Nd7 Th1 Se16'
_cell_volume   871.86322408
_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
  Ba  Ba0  1  0.25000000  0.75156224  0.33687119  1.0
  Ba  Ba1  1  0.25000000  0.25653293  0.15867299  1.0
  Ba  Ba2  1  0.75000000  0.24516698  0.66525172  1.0
  Ba  Ba3  1  0.75000000  0.74402970  0.83749708  1.0
  Nd  Nd4  1  0.25000000  0.42703893  0.39300076  1.0
  Nd  Nd5  1  0.25000000  0.92017131  0.10229249  1.0
  Nd  Nd6  1  0.75000000  0.56992691  0.60763516  1.0
  Nd  Nd7  1  0.75000000  0.07715840  0.89514413  1.0
  Nd  Nd8  1  0.25000000  0.42490132  0.89900198  1.0
  Nd  Nd9  1  0.25000000  0.92085530  0.60474611  1.0
  Nd  Nd10  1  0.75000000  0.57794971  0.10239683  1.0
  Th  Th11  1  0.75000000  0.07848515  0.39836364  1.0
  Se  Se12  1  0.25000000  0.21152960  0.82808866  1.0
  Se  Se13  1  0.25000000  0.70989147  0.67104901  1.0
  Se  Se14  1  0.75000000  0.79070988  0.17624979  1.0
  Se  Se15  1  0.75000000  0.28645827  0.32595271  1.0
  Se  Se16  1  0.25000000  0.13191892  0.52131910  1.0
  Se  Se17  1  0.25000000  0.63583578  0.97854320  1.0
  Se  Se18  1  0.75000000  0.87289354  0.47352840  1.0
  Se  Se19  1  0.75000000  0.36785034  0.02321314  1.0
  Se  Se20  1  0.25000000  0.51720496  0.21830913  1.0
  Se  Se21  1  0.25000000  0.01889295  0.28313057  1.0
  Se  Se22  1  0.75000000  0.48254388  0.78294633  1.0
  Se  Se23  1  0.75000000  0.98529471  0.71690939  1.0
  Se  Se24  1  0.25000000  0.41471879  0.57970305  1.0
  Se  Se25  1  0.25000000  0.91946847  0.91679974  1.0
  Se  Se26  1  0.75000000  0.58229242  0.42069422  1.0
  Se  Se27  1  0.75000000  0.07871911  0.08269247  1.0