# generated using pymatgen
data_NbPSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97321847
_cell_length_b   6.97321847
_cell_length_c   6.97321847
_cell_angle_alpha   151.10708241
_cell_angle_beta   139.20782016
_cell_angle_gamma   50.75716438
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPSe
_chemical_formula_sum   'Nb2 P2 Se2'
_cell_volume   106.54327709
_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
  Nb  Nb0  1  0.38445200  0.88445200  0.50000000  1.0
  Nb  Nb1  1  0.61554800  0.11554800  0.50000000  1.0
  P  P2  1  0.76611700  0.50000000  0.26611700  1.0
  P  P3  1  0.23388300  0.50000000  0.73388300  1.0
  Se  Se4  1  0.21322900  0.21322900  0.00000000  1.0
  Se  Se5  1  0.78677100  0.78677100  0.00000000  1.0