# generated using pymatgen
data_NbSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45815300
_cell_length_b   15.48074632
_cell_length_c   23.39189337
_cell_angle_alpha   119.84369647
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSe3
_chemical_formula_sum   'Nb6 Se18'
_cell_volume   1086.21044480
_cell_formula_units_Z   6
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  0.25000000  0.72567400  0.26306100  1.0
  Nb  Nb1  1  0.75000000  0.27432600  0.73693900  1.0
  Nb  Nb2  1  0.75000000  0.27815500  0.04286200  1.0
  Nb  Nb3  1  0.25000000  0.72184500  0.95713800  1.0
  Nb  Nb4  1  0.25000000  0.33194400  0.94771600  1.0
  Nb  Nb5  1  0.75000000  0.66805600  0.05228400  1.0
  Se  Se6  1  0.75000000  0.40747200  0.16935600  1.0
  Se  Se7  1  0.25000000  0.59252800  0.83064400  1.0
  Se  Se8  1  0.75000000  0.76319900  0.35382300  1.0
  Se  Se9  1  0.25000000  0.23680100  0.64617700  1.0
  Se  Se10  1  0.75000000  0.87171900  0.29663300  1.0
  Se  Se11  1  0.25000000  0.12828100  0.70336700  1.0
  Se  Se12  1  0.25000000  0.18958600  0.07566800  1.0
  Se  Se13  1  0.75000000  0.81041400  0.92433200  1.0
  Se  Se14  1  0.25000000  0.16919200  0.94252200  1.0
  Se  Se15  1  0.75000000  0.83080800  0.05747800  1.0
  Se  Se16  1  0.25000000  0.54962500  0.17952800  1.0
  Se  Se17  1  0.75000000  0.45037500  0.82047200  1.0
  Se  Se18  1  0.75000000  0.07387100  0.79473500  1.0
  Se  Se19  1  0.25000000  0.92612900  0.20526500  1.0
  Se  Se20  1  0.75000000  0.44435000  0.03535300  1.0
  Se  Se21  1  0.25000000  0.55565000  0.96464700  1.0
  Se  Se22  1  0.75000000  0.25938600  0.84819500  1.0
  Se  Se23  1  0.25000000  0.74061400  0.15180500  1.0