# generated using pymatgen
data_Nb3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.15657150
_cell_length_b   10.15657124
_cell_length_c   3.49032638
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000294
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Se4
_chemical_formula_sum   'Nb6 Se8'
_cell_volume   311.81062341
_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  0.51302686  0.89396382  0.75000000  1.0
  Nb  Nb1  1  0.61906304  0.51302686  0.25000000  1.0
  Nb  Nb2  1  0.89396382  0.38093696  0.25000000  1.0
  Nb  Nb3  1  0.10603618  0.61906304  0.75000000  1.0
  Nb  Nb4  1  0.38093696  0.48697314  0.75000000  1.0
  Nb  Nb5  1  0.48697314  0.10603618  0.25000000  1.0
  Se  Se6  1  0.65870954  0.71894183  0.75000000  1.0
  Se  Se7  1  0.93977070  0.65870954  0.25000000  1.0
  Se  Se8  1  0.71894183  0.06022930  0.25000000  1.0
  Se  Se9  1  0.28105817  0.93977070  0.75000000  1.0
  Se  Se10  1  0.06022930  0.34129046  0.75000000  1.0
  Se  Se11  1  0.34129046  0.28105817  0.25000000  1.0
  Se  Se12  1  0.66666700  0.33333300  0.75000000  1.0
  Se  Se13  1  0.33333300  0.66666700  0.25000000  1.0