# generated using pymatgen
data_Nd4ThSiSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35031151
_cell_length_b   7.35031119
_cell_length_c   7.35031217
_cell_angle_alpha   99.49743440
_cell_angle_beta   99.49743775
_cell_angle_gamma   132.06653874
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd4ThSiSe4
_chemical_formula_sum   'Nd4 Th1 Si1 Se4'
_cell_volume   269.38808204
_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  0.40503366  0.78908656  0.19411922  1.0
  Nd  Nd1  1  0.59496634  0.21091344  0.80588078  1.0
  Nd  Nd2  1  0.21091344  0.40503366  0.61594710  1.0
  Nd  Nd3  1  0.78908656  0.59496634  0.38405290  1.0
  Th  Th4  1  0.00000000  0.00000000  0.00000000  1.0
  Si  Si5  1  0.50000000  0.50000000  0.00000000  1.0
  Se  Se6  1  0.09697514  0.69987995  0.79685410  1.0
  Se  Se7  1  0.69987995  0.90302486  0.60290281  1.0
  Se  Se8  1  0.30012005  0.09697514  0.39709719  1.0
  Se  Se9  1  0.90302486  0.30012005  0.20314590  1.0