# generated using pymatgen
data_Nd2Th3Bi3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.59740666
_cell_length_b   9.62321006
_cell_length_c   6.71963971
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.08896822
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2Th3Bi3Se
_chemical_formula_sum   'Nd4 Th6 Bi6 Se2'
_cell_volume   536.98287800
_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  0.00000000  0.26074726  0.75000000  1.0
  Nd  Nd1  1  0.26129271  0.26144124  0.25000000  1.0
  Nd  Nd2  1  0.73870729  0.00014753  0.25000000  1.0
  Nd  Nd3  1  1.00000000  0.73638034  0.25000000  1.0
  Th  Th4  1  0.66507498  0.33424907  0.99891560  1.0
  Th  Th5  1  0.33492502  0.66917410  0.99891560  1.0
  Th  Th6  1  0.33492502  0.66917410  0.50108440  1.0
  Th  Th7  1  0.66507498  0.33424907  0.50108440  1.0
  Th  Th8  1  0.73936291  0.73937388  0.75000000  1.0
  Th  Th9  1  0.26063709  0.00001097  0.75000000  1.0
  Bi  Bi10  1  0.38643784  0.38899088  0.75000000  1.0
  Bi  Bi11  1  0.61356216  0.00255304  0.75000000  1.0
  Bi  Bi12  1  0.00000000  0.60909802  0.75000000  1.0
  Bi  Bi13  1  0.61107249  0.61145898  0.25000000  1.0
  Bi  Bi14  1  0.38892751  0.00038649  0.25000000  1.0
  Bi  Bi15  1  0.00000000  0.38823550  0.25000000  1.0
  Se  Se16  1  0.00000000  0.99716426  0.99958213  1.0
  Se  Se17  1  0.00000000  0.99716426  0.50041787  1.0