# generated using pymatgen
data_NdSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15666710
_cell_length_b   4.15666710
_cell_length_c   8.59263766
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdSe2
_chemical_formula_sum   'Nd2 Se4'
_cell_volume   148.46257423
_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  0.75000000  0.75000000  0.72619491  1.0
  Nd  Nd1  1  0.25000000  0.25000000  0.27380509  1.0
  Se  Se2  1  0.75000000  0.25000000  0.00000000  1.0
  Se  Se3  1  0.25000000  0.75000000  0.00000000  1.0
  Se  Se4  1  0.75000000  0.75000000  0.36785583  1.0
  Se  Se5  1  0.25000000  0.25000000  0.63214417  1.0