# generated using pymatgen
data_Nb3CrSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05742458
_cell_length_b   6.05741750
_cell_length_c   12.88579506
_cell_angle_alpha   90.00071568
_cell_angle_beta   89.99949670
_cell_angle_gamma   120.00009885
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3CrSe6
_chemical_formula_sum   'Nb6 Cr2 Se12'
_cell_volume   409.46514816
_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  0.33333332  0.66666884  -0.00106774  1.0
  Nb  Nb1  1  -0.00000050  -0.00000022  0.99994897  1.0
  Nb  Nb2  1  0.00000138  0.00000015  0.50004671  1.0
  Nb  Nb3  1  0.33333503  0.66666638  0.50106447  1.0
  Nb  Nb4  1  0.66666072  0.33333426  0.00095797  1.0
  Nb  Nb5  1  0.66666849  0.33333269  0.49904517  1.0
  Cr  Cr6  1  0.33333166  0.66666563  0.24998644  1.0
  Cr  Cr7  1  0.66666684  0.33333377  0.75001289  1.0
  Se  Se8  1  0.33285722  0.00234891  0.12976983  1.0
  Se  Se9  1  0.66708730  0.99762203  0.62983338  1.0
  Se  Se10  1  0.99765314  0.33051089  0.12976839  1.0
  Se  Se11  1  0.66945867  0.00234107  0.37022746  1.0
  Se  Se12  1  0.33288739  0.33053834  0.37022791  1.0
  Se  Se13  1  0.99765491  0.66711118  0.37022832  1.0
  Se  Se14  1  0.66949140  0.66714595  0.12977023  1.0
  Se  Se15  1  0.33053766  0.33291821  0.62983342  1.0
  Se  Se16  1  0.00238374  0.66946864  0.62983327  1.0
  Se  Se17  1  0.33051970  0.99763014  0.87016869  1.0
  Se  Se18  1  0.66710878  0.66947318  0.87017124  1.0
  Se  Se19  1  0.00236314  0.33288895  0.87017097  1.0